From noy@tci002.uibk.ac.at Mon Mar 6 04:10:09 1995 Received: from uibk.ac.at for noy@tci002.uibk.ac.at by www.ccl.net (8.6.10/930601.1506) id DAA13644; Mon, 6 Mar 1995 03:30:09 -0500 Received: from tci002.uibk.ac.at by uibk.ac.at with SMTP id AA05878 (5.65c/IDA-1.4.4 for ); Mon, 6 Mar 1995 09:30:06 +0100 Received: by tci002.uibk.ac.at (AIX 3.2/UCB 5.64/CFIBK-2e.AIX) id AA43309; Mon, 6 Mar 1995 09:30:03 +0100 From: noy@tci002.uibk.ac.at (Teerakiat Kerdcharoen) Message-Id: <9503060830.AA43309@tci002.uibk.ac.at> Subject: Threat to the Internet To: chemistry@ccl.net Date: Mon, 6 Mar 1995 09:30:03 +0100 (NFT) In-Reply-To: from "Oscar N. Ventura" at Mar 5, 95 11:30:44 am X-Mailer: ELM [version 2.4 PL23] Content-Type: text Content-Length: 1809 : The message yesterday about the Senate Bill S.314 (Communications Decency : Act) reports on a very real threat to the Internet (once the land of : the free men). I imagine it is just the natural process of "civilization": : the process by which a set of consensual, autoimposed, "natural" regulations : ruling the interconnection of a bunch of pioneers, is substituted by a : body of laws implanted from outside the group so as to allow the masses : to participate in a "properly ordered" and "well-behaved" way. Like : any beautiful natural place perishes under the feet of mass tourism once : publicity popularizes it, the Internet is dying under the burden of its : own usefulness. : I am skeptical about the force any amount of pressure from scientists : may carry in this subject but, of course, we should try it. On the other : side, what happens in the USA is affecting also all of us, scientists : located in many other countries and relying heavily on the Internet for : our work. I am concious that perhaps these messages are not too appropriate : for the CCL, but may I suggest that the knowledgeable US scientists : post some recommendations as to how we foreigners can act upon this subject? : After all, even if Internet is global, the Senate Bill S.314 is rather : local. I, for one, don't think that this Bill will affect other countries. For example, in Thailand messages or activities on the net are unable to be evidents on court (our communication law is very old about 1960 or below). Many crimes against the communication laws are also treated under civil law not as crime. The problem of legislations still stay locally but other invisible consequences may distribute over the globe, I can't know. After all, I am against this bill. take care, Noy From mutz@ifp.mat.ethz.ch Mon Mar 6 04:22:00 1995 Received: from bernina.ethz.ch for mutz@ifp.mat.ethz.ch by www.ccl.net (8.6.10/930601.1506) id DAA13707; Mon, 6 Mar 1995 03:46:57 -0500 From: Received: from dove (actually dove.ethz.ch) by bernina.ethz.ch with SMTP inbound; Mon, 6 Mar 1995 09:46:24 +0100 Message-Id: <9503060850.AA27775@dove> Received: from ifp.mat.ethz.ch (erne) by dove.ethz.ch id AA27775; Mon, 6 Mar 95 09:50:35 +0100 Received: by erne.ethz.ch; Mon, 6 Mar 1995 09:47:34 +0100 To: Chemistry@ccl.net Cc: mutz@ifp.mat.ethz.ch Subject: Communications Decency Act of 1995 Date: Mon, 06 Mar 95 09:47:34 +0100 Hi all. I am not at all in favour of any form of censorship or restriction of freedom of speech. But, after reading the text of the "Communications Decency Act of 1995", I think the discussion on the net is a bit overheated. More seriously, I think it focuses on the wrong issue. The act clearly says that only "whoever KNOWINGLY" provides facilities for distributing doubtful messages is subject to prosecution. I cannot see why this should necessarily lead to general censorship on email. The real threat is the general principle behind the whole thing, also very noticeable in very different fields: The urge to protect their citizens from any bad influences, from any mishap, even from the consequences of their own misbehaviour that our governments seem to feel so strongly. Neither the Swiss, nor I dare say any other European government is any better than the American in this respect. I think we should teach our governments to respect their citizens as responsible, thinking and independent individuals, rather than viewing them as an unstructured mass without any trace of self-responsibility that has to be protected from all sorts of evil. Simply the concept of "Decency", in the context of federal legislation, is all wrong; even more so, as the U.S. are a country of amazing cultural diversity (It is sad that so many government officials and voting citizens should see a nuisance rather than a form of wealth in this). It smacks of the chinese neighbourship commitee and of a new witch hunt. Therefore, and not for fear of censorship on the internet, I think we are all well advised to oppose legislation such as the one in question. We are challenged as scientists, who should be concerned about the independence and self-responsibility of the indiviual, rather than as internet- and telephone users. Science is impossible in an environment that enforces its concept of "Decency" and "right belief" by legislation. Greetings from Switzerland Marcel. ------------------------------------------------------------------------------ Marcel Utz phone: +41 1 632 5672 Institute of Polymers fax: +41 1 632 1096 ETH-Zurich CNB E 98.2 CH-8092 Zurich, Switzerland email: Marcel.Utz@ifp.mat.ethz.ch ------------------------------------------------------------------------------ From savary@sc2a.unige.ch Mon Mar 6 04:26:34 1995 Received: from UNI2B.UNIGE.CH for savary@sc2a.unige.ch by www.ccl.net (8.6.10/930601.1506) id DAA13727; Mon, 6 Mar 1995 03:48:12 -0500 Received: from PCC2333F (129.194.51.63) by uni2b.unige.ch (PMDF V4.3-8 #2502) id <01HNT7WKI15S001PK5@uni2b.unige.ch>; Mon, 6 Mar 1995 09:47:23 WET-DST Date: Mon, 06 Mar 1995 09:47:14 +0100 From: savary@sc2a.unige.ch (Francois Savary) Subject: EHMO and ASED on organometallics (summary) X-Sender: savary@sc2a.unige.ch To: CHEMISTRY@ccl.net Message-id: <01HNT7WLPPAQ001PK5@uni2b.unige.ch> X-Envelope-to: CHEMISTRY@ccl.net MIME-version: 1.0 X-Mailer: Windows Eudora Version 1.4.4 Content-type: text/plain; charset="us-ascii" Content-transfer-encoding: 7BIT Hello, I have asked one week ago the following question : >I was wondering if someone out there knows of the existence of a review >article on Extended Hueckel calculations on transition metals, with or >without ASED corrections. If someone has a bibliography work on the subject, >I would be also very much interested. Thank you to everybody who replied. The bibliography that comes with the cacao package you kind find at infomeister seems to be a good starting point (see enclosed a copy thereafter). here comes the answer I got, I have cut the ones that asked for a summary. See you Francois ---------------------------------------------------------------------------- Francois Savary University of Geneva Department of Physical Chemistry CHIFI Weber 30 quai Ernest-Ansermet CH-1211 Geneva 4 Lab : 112 Phone : +4122 702 65 32 Fax : +4122 702 65 18 e-mail : savary@sc2a.unige.ch HTML : http://scsg9.unige.ch/tabmat.html (in french) : http://scsg9.unige.ch/eng/toc.html (in english) resume : http://scsg9.unige.ch/eng/cv.html ---------------------------------------------------------------------------- the summary starts here ------------------------------------------------------------------------------ Dear Dr. Savary, You might try the book Theoretical Heterogeneous Catalysis by R.A. van Santen (World Scientific, Singapore, 1991?). There are many references to papers on adsorption of small molecules on surfaces of transition metals. Many of these papers deal with EHT, with and without ASED. Regards, A.P.J. Jansen Theory group, Laboratory of Inorganic Chemistry and Catalysis Eindhoven University of Technology ----------------------------------------------------------------------------- Hi Francois: In the node 128.146.36.5 (www.ccl.net), in the directory: pub/chemistry/software/MS-WIUNDOWS/cacao exist a file: cacao40.exe this is a autoextract file for DOS. This is a Extended Huckel Package with graphical features. Well, when you extract this file, will be a file "biblio.txt". contain a review of extended hueckel calculations on transition metal complexes and more. Hope that help you. Grettings... Antonio Antonio Buljan Department de Quimica Fisica Facultat de Quimica Universitat de Barcelona Barcelona, Espanya. E-mail: antonio@linus.qui.ub.es ------------------------------------------------------------------------------ From: "H. Tang (UH-Chem)" The attached was the bibiographic document of CACAO program written by Carlos Mialli and coworkers. It's very helpful as a fair comprehensive list of the references on EHT. Aaron ------------------------------------------------------------------------ SELECTED BIBLIOGRAPHY ON EXTENDED HUECKEL MOLECULAR ORBITALS THEORY ------------------------------------------------------------------------ BOOKS 1) Molecular Orbital Theory. An Introductory Lecture Note and Reprint Volume, Ballhausen C.J. and Gray Harry B., W.A. Benjamin, 1965 2) Sigma Molecular Orbital Theory, Sinanoglu Oktay and Wiberg Kenneth B., Yale Univ. Press, 1970. 3) Introduction to Applied Quantum Chemistry, McGlynn S.P., Vanquickenborne L. G.; Kinoshita M. and Caroll D.G., Holt, Rinehart and Winston, 1972. (chapter 4) 4) Quantum Chemistry, Lowe J.P., Academic Press, 1978. (chapters 10,14) 5) Molecular structure and bonding. The qualitative molecular orbital approach, Gimarc B.M., Academic Press, 1979. 6) Molecular Shapes, Burdett Jeremy, John Wiley & Sons, 1980. 7) Theorie de la Structure Moleculaire, Minkine V., Simkine and Miniaev Ruslan, MIR, 1982. (chapter 10) 8) Orbital Interactions in Chemistry, Albright T.A., Burdett J.K. and Whangbo M.H., John Wiley & Sons, 1985. (The reference book for EHMO-FMO) 9) Applied Quantum Chemistry, Naray-Szabo G., Surjan P.R., Angyan J,G., D. Reidel Publ., 1987 GENERAL THEORY 1) An Extended Hueckel Theory. I. Hydrocarbons, Hoffmann Roald , J. Chem. Phys., 1963, 39, 1397-1412 2) Theory of Polyhedral Molecules. I. Physical Factorizations of the Secular Equation, R. Hoffmann and W. N. Lipscomb, J. Chem Phys., 36, 1962, 2179. 3) Theory of Polyhedral Molecules. III. Population Analyses and Reactivities for the Carboranes, R. Hoffmann and W. N. Lipscomb, J. Chem. Phys., 36, 1962, 3489. 4) The Boron Hydrides; LCAO-MO and Resonance Studies, R. Hoffmann and W. N. Lipscomb, J. Chem. Phys., 37, 1962, 2872. 5) An Extended Hueckel Theory. II. Sigma Orbitals in the Azines, R. Hoffmann, J.Chem. Phys., 40, 1964, 2745. 6) An Extended Hueckel Theory. III. Compounds of Boron and Nitrogen, R. Hoffmann, J. Chem. Phys., 40, 1964, 2474. 7) An Extended Hueckel Theory. IV. Carbonium Ions, R. Hoffmann, J. Chem. Phys., 1964, 40, 2480 5) Extended Hueckel Theory. V. Cumulenes, Polyenes, Polyacetylenes and Cn, R. Hoffmann, Tetrahedron, 1966, 22, 521 6) Extended Hueckel Theory . VI . Excited States and Photochemistry of Diazirines and Diazomethanes, R. Hoffmann, Tetrahedron, 1966, 22, 539 7) Extended Hueckel theory and molecular Hartree-Fock SCF theory, Boer F.P., Newton M.D., Lipscomb W.N., Proc. Natl. Acad. Sc., 1964, 52, 890-893 8) Basis of Extended Hueckel Formalism, Blyholder G., Coulson C.A., Theoret. Chim. Acta (Berl.), 1968, 10, 316-324 9) Why Three-Dimensional Hueckel Theory Works and Where It Breaks Down, Allen Leland C. in Sigma Molecular Orbital Theory by Sinanoglu O. and Wiberg K.B., 1970, 227-249 10) Some comments on the extended Hueckel method, Woolley R.G., Nouv. J. Chim., 1981, 5, 219-225 11) Estimates for the extended Hueckel constant K, Woolley R.G., Nouv. J. Chim., 1981, 5, 227-232 12) Use of semi-empirical molecular orbital theory for study of electronic structures of transition metal complexes, Fenske Richard F., Pure & Appl. Chem. , 1988, 60, 1153-1162 13) Some comments on approximate LCAO molecular orbital theory in organometallic chemistry: Getting more by doing less?,Bursten Bruce E., Pure & Appl. Chem. , 1991, 63, 839-844 WOLFSBERG-HELMHOLZ FORMULA, CONSTANT K 1) The Electronic Structure of MnO4-, CrO4-, and ClO4-, Wolfsberg M. and Helmholz L. J. Chem. Phys., 1952, 20, 837-843 2) Counterintuitive Orbital Mixing in Semiempirical and Ab Initio Molecular orbital Calculation, Ammeter J.H., Buergi H.-B., Thibeault J.C., Hoffmann R., J. Am. Chem. Soc., 1978, 100, 3686-3692 3) Counterintuitive Orbital Mixing, Whangbo Myung-Hwan and Hoffmann Roald, J. Chem. Phys., 1978, 68, 5498-5500 4) About Counterintuitive Orbital Mixing and Bond Population, Jorge F.E., Gianbiagi M., de Giambiagi M.S., Theoret. Chim. Acta (Berl.), 1983, 63, 529-539 MULLIKEN POPULATION ANALYSIS 1) Electron Population Analysis on LCAO-MO Molecular Wave Functions. I, Mulliken R.S. J. Chem. Phys., 1955, 23,1833 2) Electron Population Analysis on LCAO-MO Molecular Wave Functions. II. Overlap Populations, Bond Orders, and Covalent Bond Energies, Mulliken R.S. J. Chem. Phys., 1955, 23,1841 3) Electron Population Analysis on LCAO-MO Molecular Wave Functions. III Effects of Hybridization on Overlap and Gross AO Populations, Mulliken R.S. J. Chem. Phys., 1955, 23,2338 4) Electron Population Analysis on LCAO-MO Molecular Wave Functions. IV. Bondong and Antibonding in LCAO and Valence-Bond Theories, Mulliken R.S. J. Chem. Phys., 1955, 23,2343 5) Atomic Orbital Populations and Atomic Charges from Self-consisten Field Molecular Orbital Wavefunctions, Edgecombe K.E., Boyd R.J., J. Chem. Soc., Faraday Trans. 2, 1987, 83, 1307-1315 6) Classical chemical concepts from ab initio SCF calculations, Baker Jon, Theor. Chim. Acta, 1985, 68, 221-229 VALENCE STATE IONIZATION POTENTIAL 1) Electronegativities IV. Orbital electronegativities of the neutral atoms of the periods 3A and 4A and of positive ions of period 1 and 2, Hinze J., Jaffe H.H., J. Phys. Chem., 1963, 67, 1501-1503 2) Valence Orbital Ionization Potential from atomic spectral data, Basch Harold , Gray Harry B., Theoret. Chim. Acta (Berl.), 1965, 3, 458-464 3) Molecular orbital theory for octahedral and tetrahedral metal complexes, Basch Harold , Viste A., Gray Harry B., J. Chem. Phys., 1966, 44, 10-19 4) Valence State Ionization Potentials of elements in the second transition period, Baranovskii V.I., Nikol'skii A.B., Theor. Exp. Chem., 1967, 3, 309-315 5) Electron Binding Energies in Free Atoms, Lotz Wolfgang, J. Opt. Soc. Am., 1970, 60, 206-210 6) Ionization Potentials and Ionization Limits Derived from the Analyses of Optical Spectra, Moore Charlotte E., Nat. Stand. Ref. Data Ser., Nat. Bur. Stand. (U.S.), 1970, 34, 1-8 7) The Valence Orbital Ionization Potential of the First Transition-Metal Atoms and Ions, Anno T. and Sakai Y., Theoret. Chim. Acta (Berl.), 1970, 18, 208-222 8) Valence Orbital Ionization Potential of 1s2 2sm 2pn Atoms and Ions, Anno T., Theoret. Chim. Acta (Berl.), 1970, 18, 223-234 9) The Orbital Ionization Potential of the atoms and ions of heavy elements, Charkin O.P., Russian J. Inorg. Chem., 1974, 19, 1589-1592 10) Valence Orbital Ionization Potential for second-row transition elements, Munita R., Letelier J.R., Theoret. Chim. Acta (Berl.), 1981, 65, 167-171 11) Extended Hueckel parameters from Density Functional Theory, Vela A., Gazquez J.L., J. Phys. Chem., 1988, 92, 5688-5693 12) Extended Hueckel parameters for third-row transition elements, Jostes R., Theoret. Chim. Acta (Berl.)., 1988, 74, 229-235. EXPONENTS FOR THE SLATER TYPE ORBITALS 1) Approximate Radial Functions for First-Row Transition-Metal Atoms and Ions. I. Inner-Shell, 3d and 4s Atomic Orbitals, Richardson James W.; Nieuwpoort W.C.; Powell R.R.; Edgell W.F., J. Chem. Phys., 1962, 36, 1057-1061 2) Approximate Radial Functions for First-Row Transition-Metal Atoms and Ions. II. 4p and 4d Atomic Orbitals, Richardson James W.; Powell R.R.; Nieuwpoort W.C., J. Chem. Phys., 1963, 38, 796-801 3) Atomic Shielding Parameters, Burns Gerald, J. Chem. Phys., 1964, 41, 1521-1522 4) Approximate Analytical Orbital Functions for Second and Third-Row Transition Metal, Basch Harold , Gray Harry B., Theoret. Chim. Acta (Berl.), 1966, 4, 367-376 5) Atomic screening constants for SCF functions , Clementi Enrico, Raimondi D.L., J. Chem. Phys., 1963, 38, 2686-2689 6) Atomic screening constants for SCF functions II. Atoms with 37 to 86 electrons, Clementi Enrico, Raimondi D.L., Reinhardt, J. Chem. Phys., 1967, 47, 1300-1307 7) Roothaan-Hartree-Fock Atomic Wavefunctions. Basis Functions and Their Coefficients for Ground and Certain Excited States of neutral and Ionized Atoms, Z < 54, Clementi Enrico, Roetti Carla, Atomic Data and Nuclear Data Tables, 1974, 14, 177-478 8) Roothaan-Hartree-Fock atomic wavefunctions. Slater Basis-set Exapansion for Z= 55-92, McLean A.D. and McLean R.S., Atomic Data and Nuclear Data Tables, 1981, 26, 197-380 9) An X-a optimized atomic orbital basis, Bursten E.B., Jensen J.R. and Fenske R.F., J. Chem. Phys., 1978, 68, 3320-3321 10) Analytic atomic shielding parameters, Bessis N., Bessis G., J. Chem. Phys., 1981, 74, 3628-3630 11) Molecular Orbital Theory of Organometallic Compounds. Part VII. A Comparison of the 3d Radial Wave Functions of the First Transition Series, Brown Davide and Fitzpatrick Noel J., J. Chem. Soc. (A), 1966, 941-945 12) Consisten Approximante Wavefunctions for all Elements of the Periodic Table, Fitzpatrick Noel J.; Murphy George H., Inorg. Chim. Acta., 1984, 87, 41-46 13) Double Zeta d Radial Wave Functions for Transition Elements, Fitzpatrick Noel J.; Murphy George H., Inorg. Chim. Acta., 1986, 111, 139-140 14) Table of Parameters for Extended Hueckel Calculations, collected by Santiago Alvarez, Univeristat de Barcelona (Spain), 1989 EH TOTAL ENERGY AND AB-INITIO RESULTS 1) The isoelectronic principle and the accuracy of binding energies in the Hueckel method, Goodisman J., J. Am. Chem. Soc., 1969, 91, 6552- 6554 2) Near-Minimum basis set SCF calculations on HCl as source of transferable parameters, Boyd D.B., Theoret. Chim. Acta (Berl.), 1971, 20, 273-281 3) Some approximate energy relationships for molecules, Politzer Peter, J. Chem. Phys., 1976, 64, 4239-4240 4) Approximate relation between orbital SCF energies and total SCF energy in molecules, Boyd D.B., J. Chem. Phys., 1977, 67,1787-1788 5) Relation between the total energy and eigenvalue sum for neutral atoms and molecules, March N.H., J. Chem. Phys., 1977, 67, 4618-4619 6) An approximate relation between orbital SCF energies and total SCF energy in molecules, Ruedeberger Klaus, J. Chem. Phys., 1977, 66, 375-376 7) The relation between orbital SCF energies and total SCF energy in molecules, Schaad L.J., Robinson B.H., Hess B.A. Jr., J. Chem. Phys., 1977, 67, 4616-4617 8) Individual orbital contributions to SCF virial in homonuclear diatomic molecules, Pettifor D.G., J. Chem. Phys., 1978, 69, 2930-2931 9) On the relation between orbital SCF energies and total SCF energy in molecules, Sannigrahi A.B., De B.R., Guha Niyogi B., J. Chem. Phys., 1978, 68,784-785 10) Energy-eigenvalue sum relationship in molecules, Sen K.D., Int. J. Quant. Chem., 1980, 18, 907-909 11) Calculation of total molecular energies from an approximate relation between SCF orbital, atomic electronic repulsion, and total SCF energies, Donati E., Castro E.A., Fernandez F.M., Int. J. Quant. Chem., 1982, 22,429-431 FRAGMENT MOLECULAR ORBITAL ANALYSIS 1) General perturbation theory for the extended Hueckel method, Imamura Akira, Mol. Phys., 1968, 15, 225-238. 2) Molecular Orbitals from Group Orbitals. I. A perturbational molecular orbital treatment of the electronic structures, shapes and conforma- tions of AHmBHn systems, Whangbo M-H., Wolfe S., Can. J. Chem., 1979, 57, 729-732 3) Molecular Orbitals from Group Orbitals. II. Conformational Analysis of systems with three heavy atoms. The XCH2CH2 system and the anomeric effect, Whangbo M-H., Wolfe S., Can. J. Chem., 1979, 57, 729-732 4) Molecular Orbitals from Group Orbitals. 3. Quantitative Perturbational Molecular Orbital Analysis of ab Initio SCF-MO Wave Functions, Whangbo Myung-Hwan, Schlegel Bernhard H., Wolfe S., J. Am.Chem. Soc., 1977, 99, 1296-1304 5) Molecular Orbitals from Group Orbitals. IX. The problem of hybrid lone pairs, Kost Daniel, Schlegel Bernhard H., Mitchell David John, Wolfe Saul, Can. J. Chem., 1979, 57, 729-732 6) Interaction of Orbitals Through Space and Through Bonds, R. Hoffmann , Accts. Chem. Res., 1971, 4, 1. 7) The Chemical Consequences of Orbital Interaction Through Space and Through Bonds, R. Hoffmann and W.-D. Stohrer, Special Lectures at XXXIIIrd International Congress of Pure and Applied Chemistry, Vol. 1, p. 157, Butterworths,London, 1971. 8) Theoretical Aspects of the Bonding in Some Three-Membered Rings Containing Sulfur, R. Hoffmann, H. Fujimoto, J.R. Swenson and C.-C. Wan, J. Am. Chem. Soc., 1973, 95, 7644 9) Towards a Detailed Orbital Theory of Substituent Effects: Charge Transfer, Polarization and the Methyl Group L. Libit and R. Hoffmann, J. Am. Chem. Soc., 1974, 96, 1370. 10) The Perturbation of Molecules by Static Fields, Orbital overlap and Charge Transfer, H. Fujimoto and R. Hoffmann,, J. Phys Chem. , 1974, 78, 1874 11) A Critique of Frontier Orbital Theory, Dewar Michael J.S., J. Mol. Struc. (Theochem), 1989, 200, 301-323 WALSH DIAGRAMS 1) The Electronic Orbitals, Shapes, and Spectra of Polyatomic Molecules. Part I. AH2 Molecules, J. Chem. Soc., 1953, 2260-2265. 2) The Electronic Orbitals, Shapes, and Spectra of Polyatomic Molecules. Part II. Non-Hydride AB2 and BAC Molecules, J. Chem. Soc., 1953, 2266- 2289. 3) Extended Hueckel theory and the shape of molecules, Allen L.C., Russel J.D., J. Chem. Phys., 1967, 46, 1029-1037 4) Molecular Geometry and the Mulliken-Walsh Molecular Orbital Model. An Ab Initio Study, Buenker R.L. and Peyerimhoff, Chem. Rev. 1974, 74, 124-185. 5) Structure and electronic properties of copper clusters and bulk; comment on Mulliken-Walsh diagrams and on criticism of the extended Hueckel procedure, Anderson Alfred B., J. Chem. Phys., 1978, 68, 1744- 1751 6) Tempered Orbital Energies in SCF MO Calculations and Their Relation to the Ordinate in Mulliken-Walsh Correlation Diagrams and Extended Hueckel Orbital Energies, Mehrotra Prem K. and Hoffmann R., Theoret. Chim. Acta (Berl.), 1978, 48,301-321 7) Molecular Orbital Analysis of the Orientation-Dependent Barrier to Direct Exchange Reactions, D. M.Proserpio, R. Hoffmann and R.D. Levine, J. Am. Chem. Soc. 1991, 113, 3217-3225. 8) The Xe-Cl2 Conundrum: van der Waals Complex or Linear Molecule? D. M. Proserpio, R. Hoffmann and K. C. Janda, J. Am. Chem. Soc. 1991, 113, 7184-7189. APPLICATIONS TO ORGANIC CHEMISTRY: WOODWARD-HOFFMANN RULES 1) Stereochemistry of Electrocyclic Reactions, R. B. Woodward and R. Hoffmann, J. Am. Chem. Soc., 1965, 87 , 395 2) Selection Rules for Concerted Cycloaddition Reactions, R. Hoffmann and R. B. Woodward, J. Am. Chem. Soc., 1965, 87, 2046 3) Selection Rules for Sigmatropic Reactions, R. B. Woodward and R. Hoffmann, J. Am. Chem. Soc., 1965, 87 , 2511 4) Orbital Symmetries and Endo/Exo Relationships in Concerted Cycloaddition Reactions, R. Hoffmann and R. B. Woodward, ;J. Am. Chem. Soc., 1965, 87 , 4388 5) Orbital Symmetries and Orientational Effects in a Sigmatropic Reaction, R. Hoffmann and R. B. Woodward, J. Am. Chem. Soc., 1965, 87 , 4389 6) The Conservation of Orbital Symmetry, R. Hoffmann and R. B. Woodward, Accounts of Chemical Research, 1968, 1, 17 7) The Conservation of Orbital Symmetry, R. B. Woodward and R. Hoffmann, Angew . Chem., Int. Ed. Eng. 1969, 81, 781 Reprinted in book form by Verlag Chemie and Academic Press and CEA (Milano) 8) Orbital Symmetry Control of Chemical Reactions, R. Hoffmann and R. B. Woodward, Science,1970, 167, 825 APPLICATIONS TO ORGANOMETALLIC CHEMISTRY: ISOLOBAL ANALOGY 1) Transition Metal Pentacoordination, A. R. Rossi and R. Hoffmann, Inorg. Chem., 1975, 14, 365 2) The Bonding Capabilities of Transition Metal Carbonyl Fragments, M Elian and R.Hoffmann, Inorg. Chem., 1975, 14, 1058. 3) A Comparative Bonding Study of Conical Fragments, M. Elian. M. M.-L. Chen, D. M. P. Mingos and R. Hoffmann, Inorg. Chem., 1976, 15, 1148 4) Seven Coordination. A Molecular Orbital Exploration of Structure, Stereochemistry, and Reaction Dynamics, R. Hoffmann, B. F. Beier, E. L. Muetterties and A. R. Rossi, Inorg. Chem., 1977, 16, 511. 5) Theoretical Aspects of the Coordination of Molecules to Transition Metal Centers, R. Hoffmann T. A. Albright and D. L. Thorn, Pure Appl. Chem., 1978, 50, 1. 6) Eight Coordination, J. K. Burdett, R. Hoffmann and R. C. Fay, Inorg. Chem., 1978, 17, 2553. 7) Theoretical Organometallic Chemistry, R. Hoffmann, Science, 1981, 211, 995-1002 8) Building Bridges Between Inorganic and Organic Chemistry, R. Hoffmann, Angew . Chem. Int. Ed. Engl., 1982, 21, 711-724 (Nobel Lecture) 9) Structure and Reactivity in Organometallic Chemistry. An Applied Molecular Orbital Approach, Albright Thomas A., Tetrahedron, 1982, 38, 1339-1388 10) Molecular Orbital Calculations for an Octahedral Cobalt Carbonyl Cluster Complex, Mingos D.M.P., J. Chem. Soc. Dalton Trans., 1974, 133-138 11) The Bonding Capabilities of Transition Metal Cluster, Lauher Joseph W., J. Am. Chem. Soc., 1978, 100, 5305-5315 12) The Bonding Capabilities of Transition Metal Cluster. 2. Relationship to Bulk Metals, Lauher Joseph W., J. Am. Chem. Soc., 1979, 101, 2604-2607 13) Metal-Metal Bonding in Transition-Metal Compounds, Woolley R.G., Inorg. Chem. , 1979, 18, 2945-2946 14) Electronic Structure and Structural Systematics in Transition Metal Cluster Carbonyls, Woolley R.G., Nouv. J. Chim., 1981, 5, 441-446 15) Extended Hueckel Calculations and the Role of d Orbitals in Transition- Metal Cluster Bonding, Evans D.G., Inorg. Chem. , 1986, 25, 4602-4604 16) Reply to "Extended Hueckel Calculations and the Role of d Orbitals in Transition-Metal Cluster Bonding", Woolley R.G., Inorg. Chem. , 1988, 27, 430-432 17) The isolobal theory and organotransition metal chemistry - Some recent advances, Hor A.T.S., Tan A.L.C., J. Coord. Chem., 1989, 20, 311-330 APPLICATIONS TO EXTENDED STRUCTURES : SOLIDS, SURFACES AND POLYMERS 1) The Close Ties Between Organometallic Chemistry, Surface Science and The Solid State, R. Hoffmann, Pure Appl. Chem., 1986, 58, 481-494 2) A Theoretical and Chemical View of Surface Chemistry: Chemisorption and Reactions of Acetylene, J. Silvestre and R. Hoffmann, J. Vac. Sci. Technol. A., 1986, 4(3), 1336-1342 3) Moving from Discrete Molecules to Extended Structures: A Chemical and Theoretical Approach to the Solid State, R. Hoffmann and C. Zheng, in "Quantum Chemistry: The Challenge of Transition Metals and Coordination Chemistry", ed. A. Veillard, D. Reidel Publishing Co ., 1986, 425-443 4) How Chemistry and Physics Meet in the Solid State, R. Hoffmann, Angew. Chem. Int. Ed. Engl., 1987, 26, 846-878 5) A chemical and theoretical way to look at bonding on surfaces, Hoffmann Roald, Rev. Mod. Physics, 1988, 60, 601-628 6) Solids and Surfaces: A Chemist's View of Bonding in Extended Structures, R. Hoffmann, VCH, New York, 1988. 7) A Simple Way to Understand the Electronic Structures of the Tl-Ba-Ca- Cu-O High Tc Superconductors, Y.-T. Wong A.-W.E. Chan and R. Hoffmann, Int. J. Mod. Phys. B, 1990, Vol. 4, No. 4, 677-699 8) A Chemical Approach to the Orbitals of Organic Polymers, R.Hoffmann, C. Janiak and C. Kollmar, Macromolecules, 1991, 24, 3725-3746 METHODS DERIVED FROM THE ORIGINAL EHMO 1) Description of diatomic molecules using one electron configuration energies with two-body interactions, Anderson Alfred B. and Hoffmann Roald, J. Chem. Phys., 1974, 60, 4271-4273 2) Derivation of the extended Hueckel method with correlations: One electron molecular orbital theory for energy level and structure determinations., Anderson Alfred B., J. Chem. Phys., 1975, 62, 1187-1188 3) Electrostatic Corrections to Extended Hueckel Theory, Carbo R., Fornos J.M., Hernandez J.A., Sanz F., Int. J. Quant. Chem., 1977, 11, 271-276 4) Self-consistent extended Hueckel theory. I, Kalman B.L., J. Chem. Phys., 1973, 59, 5184 5) Self-consistent extended Hueckel theory. II, Kalman B.L., J. Chem. Phys., 1974, 60, 974 6) Self-consistent methods in Hueckel and extended Hueckel theories, Mukhopadhyay A.K., Mukherjee N.G., Int. J. Quant. Chem., 1981, 19, 515-519 7) Self-consistent methods in Hueckel and extended Hueckel theories. Part V., Mukherjee N.G., Baral A.K., Z. Phys. Chemie, Leipzig, 1987, 6, 1251- 1253 8) Relativistically parametrized extended huckel calculations. IX. An iterative version with applications to some xenon, thorium and uranium compounds, Larsson Sven, Pyykko Pekka, Chemical Physics, 1986, 101, 355- 369 9) Paired Interacting orbitals: A Way of Looking at Chemical Interactions, Fujimoto Hiroshi, Acc. Chem. Res., 1987, 20, 448-453. 10) Theoretical study on the structure of methyltitanim complexes: analysis by Paired Interacting Orbitals (PIO), Shiga Akinobu, Kojima Junpei, Sasaki Toshio, Kikuzono Yasuo, J. Organomet. Chem., 1988, 345, 275-285 11) A theoretical study of the insertion of olefins into Ti-methyl bonds by Paired Interacting Orbitals, Shiga Akinobu, Kawamura Hiroshi, Ebara Takeshi, Sasaki Toshio, Kikuzono Yasuo, J. Organomet. Chem., 1989, 366, 95-104 12) Molecular Geometries by the Extended Hueckel Molecular Orbital Method, Calzaferri Gion, Forss L., Kamber I., J. Phys. Chem., 1989, 93, 5366-5371 13) Geometry optimization within a modified extended Hueckel formalism: modification to the ASED program, Kupper K.J., Counts R.W. and Gajewski J.J., Computers Chem., 1991, 15, 157-160 14) Calculation and visualization of a reactivity index for organometallics based on the exended Hueckel model. Weber J., Fluekinger P., Stussi D. and Morgantini P.-Y. J. Mol. Struc. (Theochem), 1991, 227, 175-185 SOFTWARE ICON, Howell J., Rossi A., Wallace, D., Haraki K. and Hoffmann R., QCPE, 1977, 5, No. 344 CACAO, in MO Theory Made Visible, Mealli C. and Proserpio D.M., J. Chem. Ed., 1990, 67, 399 ... NOT ONLY THEORY Under the Surface of the Chemical Article, R. Hoffmann Angew. Chem. Int. Ed., 1988, 27, 1593 Representation in Chemistry R. Hoffmann and P. Laszlo Angew. Chem. Int. Ed., 1991, 30, 1-16 ------------------------------------------------------------------------------- I just read your posting to the CCL. I worked with Dr. Anderson using ASED studying reactions over Pt, Mo, Cr, and other metals. As far as I know there are no review articles about using ASED or Extended Huckle on transition metals. Dr. Hoffmann does not seem to be doing a great deal of work using Extended Huckel on transition metals. Dr. Anderson's work is primarily with transition metals. If you need more information you can contact Dr. Anderson at Case Western Reserve University 202 Morely Building 10900 Euclid Avenue Cleveland, Ohio 44106 USA He does not use EMail; but, if you like, I can relay any EMail messages to him. If you send me some more detailed information perhaps I can lead you to some useful journal articles. Paul Shiller DELPHI Packard Electric Systems MS 93G PO Box 431 Warren, Ohio 44486 USA Phone: 216-373-3827 EMail: xzvffz@ped.gmeds.com ------------------------------------------------------------------------------- that's it From davide@stinch0.csmtbo.mi.cnr.it Mon Mar 6 09:10:19 1995 Received: from stinch0.csmtbo.mi.cnr.it for davide@stinch0.csmtbo.mi.cnr.it by www.ccl.net (8.6.10/930601.1506) id IAA16118; Mon, 6 Mar 1995 08:15:18 -0500 Received: by stinch0.csmtbo.mi.cnr.it (911016.SGI/911001.SGI) for CHEMISTRY@ccl.net id AA10000; Mon, 6 Mar 95 14:19:04 +0100 Date: Mon, 6 Mar 95 14:19:04 +0100 From: davide@stinch0.csmtbo.mi.cnr.it (Davide Proserpio) Message-Id: <9503061319.AA10000@stinch0.csmtbo.mi.cnr.it> To: CHEMISTRY@ccl.net Subject: searching software for EDX spectra analysis Hi We are interested in finding software for the analysis and quantification of EDX (EDAX) spectra that can be used on pcs or SILICON Graphics work stations. We are using a Hitachi S2400 SEM and KEVEX spectrometer to collect data >from a variety of samples and although the existing software is adequate for quantification, we would like to be able to transfer the data to pc and elaborate it there, leaving the SEM free for other users. We would obviously be most interested in some sort of freeware but we are also prepared to buy should the need arise. Thank you Davide ------------------------------------------------------------------- Davide M. Proserpio Dipartimento di Chimica Strutturale e Stereochimica Inorganica Universita' di Milano, Via Venezian, 21 - 20133 Milano, Italy phone +39-2-70635120 fax 70635288 - davide@stinch.csmtbo.mi.cnr.it ------------------------------------------------------------------- From BOTTA@unisi.it Mon Mar 6 11:13:31 1995 Received: from icnucevx.cnuce.cnr.it for BOTTA@unisi.it by www.ccl.net (8.6.10/930601.1506) id LAA18793; Mon, 6 Mar 1995 11:07:13 -0500 From: Received: from SIVAX (BOTTA@SIVAX@DECNET-MAIL ) by cnuce.cnr.it (PMDF V4.3-13 #6635) id <01HNTN9A8HS09TDTG2@cnuce.cnr.it>; Mon, 06 Mar 1995 17:06:34 +0100 (MET) Date: Mon, 06 Mar 1995 17:06 +0100 (MET) Subject: GEOMETRIES OF CU++ COMPLEXES To: CHEMISTRY@ccl.net Message-id: <01HNTN9A8U0I9TDTG2@cnuce.cnr.it> Content-transfer-encoding: 7BIT X-Original-To: CHEMISTRY@ccl.net Hi dear netters! I have searched everywhere (also in the archives of the CCL) to find some references about Xray geometries of Cu++ complexes where the metal binds four carbonyl oxygens (or oxygens in general). I need the distances Cu-O, the angle O-Cu-O, etc... to compare this expe rimental data to the results of a MM simulation I did. Can anyone give me suggestions? Writw directly to me and I'll post e summery to the list. Thank you in advance . Vega Masignani E-mail: botta@sivax.unisi.it From elewars@alchemy.chem.utoronto.ca Mon Mar 6 11:21:34 1995 Received: from alchemy.chem.utoronto.ca for elewars@alchemy.chem.utoronto.ca by www.ccl.net (8.6.10/930601.1506) id KAA18621; Mon, 6 Mar 1995 10:55:15 -0500 Received: (from elewars@localhost) by alchemy.chem.utoronto.ca (8.6.10/8.6.10) id KAA02389 for chemistry@ccl.net; Mon, 6 Mar 1995 10:55:05 -0500 Date: Mon, 6 Mar 1995 10:55:05 -0500 From: "E. Lewars" Message-Id: <199503061555.KAA02389@alchemy.chem.utoronto.ca> To: chemistry@ccl.net Subject: RECENT DISCUSSION OF CENSORSHIP BILL A recent posting urged all net users to send an email message to a certain address as their contribution to a petition against the proposed bill in the US senate. I have reservations about non-US-citizens doing this; apart from the tricky matter of involvment in another cuntries politics, it seems to me that pro-bill politicians might cite outside opposition to their bill as proof that foreigners are trying to sap the moral fiber of the US. But on second thought, politicians wouldn't say something so obviously silly, would they...? E. Lewars ==== From jkl@ccl.net Mon Mar 6 11:24:21 1995 Received: for jkl@ccl.net by www.ccl.net (8.6.10/930601.1506) id LAA18752; Mon, 6 Mar 1995 11:01:58 -0500 Date: Mon, 6 Mar 1995 11:01:58 -0500 From: Jan Labanowski Message-Id: <199503061601.LAA18752@www.ccl.net> To: chemistry@ccl.net Subject: Let us go back to Comp.Chem. when we stil can Cc: jkl@ccl.net Dear Netters, While I realize that I am the most guilty of sending mail not related to Computational Chemistry to the list lately, I still try to do my job (though I am not sure how much credibility I still have left {:-)} ...). Please refrain from discussing the "Decency Act" on the CCL (or any matters not related to Computational Chemistry -- check the help file for the list of "official topics"), since it is too explosive to handle even for chemists. Just sign the petition if you think it is more harm than good (I did, if you want to know, since it in effect forces the access providers to censor all communications after first offense, or to enter into elaborate licensing agreements to cover their butt). Jan Labanowski Still a CEO of CCL without a bank account {:-)} jkl@ccl.net From GUENTER@mdli.com Mon Mar 6 16:10:18 1995 Received: from iat.holonet.net for GUENTER@mdli.com by www.ccl.net (8.6.10/930601.1506) id PAA25719; Mon, 6 Mar 1995 15:55:41 -0500 Received: from jubal.mdli.com by iat.holonet.net (GUENTER@mdli.com) id MAA29463; Mon, 6 Mar 1995 12:55:29 -0800 Received: from gimli.mdli.com by jubal.mdli.com (AIX 3.2/UCB 5.64/9393.1) id AA36028; Mon, 6 Mar 1995 12:54:18 -0800 Received: from mdli.com by mdli.com (PMDF V4.3-10 #6626) id <01HNTCACKVD4HV0Y8T@mdli.com>; Mon, 06 Mar 1995 12:55:25 -0800 (PST) Date: Mon, 06 Mar 1995 12:55:25 -0800 (PST) From: GUENTER GRETHE Subject: Call for Pap-ers - 1995 Fall ACS Meeting, Chicago To: chemistry@ccl.net, cheminf-l@iubvm.ucs.indiana.edu Cc: chemind-l@derwent.co.uk, anchodd@cc.utas.edu.au Message-Id: <01HNTCACKVD6HV0Y8T@mdli.com> X-Vms-To: IN%"chemistry@ccl.net", IN%"cheminf-l@iubvm.ucs.indiana.edu" X-Vms-Cc: IN%"chemind-l@derwent.co.uk", IN%"anchodd@cc.utas.edu.au",GUENTER Mime-Version: 1.0 Content-Type: TEXT/PLAIN; CHARSET=US-ASCII Content-Transfer-Encoding: 7BIT Note: This message is being sent to multiple lists. My apologies if you receive it more than once. CALL FOR PAPERS =============== The Division of Chemical Information (CINF) of ACS is soliciting papers for a symposium on "Use of Chemical Information in Generating New Compound Leads" to be held at the 1995 Fall ACS Meeting in Chicago, August 20 - 25. The symposium will focus on the importance of chemical information in generating new leads in the biomedical, agrochemical and other areas. Presentations will discuss the availability of various data sources, online and inhouse, for the lead generation process. Manipulation of the data for modelling, structure-activity (property) relationship studies, synthesis planning and other activities to effectively generate new leads will be discussed. Papers describing the various approaches to lead generation, from traditional to building compound libraries, are solicited. If you are interested in contributing to this symposium, send a short summary highlighting the topics you wish to address and the length of your planned presentation by March 31, 1995, to the address listed below, preferrably by e-mail. Please, do not send your reply to the list. Papers describing any success stories are very welcomed; vendors are invited to present research- based papers but are asked to avoid sales pitches. You will be informed about the acceptance of your paper by April 10. Official ACS abstracts are due by April 30, 1995. Send your summary or any inquiries to: Guenter Grethe CINF Program Chairman c/o MDL Information Systems, Inc. 14600 Catalina Street San Leandro, CA 94577 Tel: (510) 895-1313, ext.1430 Fax: (510) 614-3652 e-mail: guenter@mdli.com From GUENTER@mdli.com Mon Mar 6 17:10:29 1995 Received: from iat.holonet.net for GUENTER@mdli.com by www.ccl.net (8.6.10/930601.1506) id QAA26550; Mon, 6 Mar 1995 16:41:19 -0500 Received: from jubal.mdli.com by iat.holonet.net (GUENTER@mdli.com) id NAA00246; Mon, 6 Mar 1995 13:41:11 -0800 Received: from gimli.mdli.com by jubal.mdli.com (AIX 3.2/UCB 5.64/9393.1) id AA23044; Mon, 6 Mar 1995 13:40:02 -0800 Received: from mdli.com by mdli.com (PMDF V4.3-10 #6626) id <01HNTFLQT2QIHV0Y8T@mdli.com>; Mon, 06 Mar 1995 13:41:06 -0800 (PST) Date: Mon, 06 Mar 1995 13:41:05 -0800 (PST) From: GUENTER GRETHE Subject: Call for Papers - 1995 ACS Fall Meeting, Chicago To: chminf-l@IUBVM.ucs.indiana.edu, chemistry@ccl.net Cc: chemind-l@derwent.co.uk Message-Id: <01HNTFLQT2QKHV0Y8T@mdli.com> X-Vms-To: IN%"chminf-l@IUBVM.ucs.indiana.edu", IN%"chemistry@ccl.net" X-Vms-Cc: IN%"chemind-l@derwent.co.uk",GUENTER Mime-Version: 1.0 Content-Type: TEXT/PLAIN; CHARSET=US-ASCII Content-Transfer-Encoding: 7BIT Note: This message is being sent to multiple lists. My apologies if you receive it more than once. CALL FOR PAPERS =============== Symposium: Information Sources for Inorganic Chemistry ------------------------------------------------------ The Division of Chemical Information (CINF) of ACS is soliciting papers for a symposium on "Information Sources for Inorganic Chemistry" to be held at the 1995 Fall ACS Meeting in Chicago, August 20 - 25. Focus of the symposium: - available electronic and hardcopy sources - structural representation of inorganic compounds in electronic databases (2D and 3D) - manipulation of structural and property data from electronic sources, problems and solutions If you are interested in contributing to this symposium, send a short summary highlighting the topics you wish to address and the length of your planned presentation (20 - 30 min.) by March 31, 1995, to the address listed below, preferrably by e-mail. Please, do not send your reply to the list. Vendors are invited to present research-based papers but are asked to avoid sales pitches. You will be informed about the acceptance of your paper by April 10. Official ACS abstracts are due by April 30, 1995. Send your summary or any inquiries to: Guenter Grethe CINF Program Chairman c/o MDL Information Systems, Inc. 14600 Catalina Street San Leandro, CA 94577 Tel: (510) 895-1313, ext.1430 Fax: (510) 614-3652 e-mail: guenter@mdli.com From GUENTER@mdli.com Mon Mar 6 19:10:13 1995 Received: from iat.holonet.net for GUENTER@mdli.com by www.ccl.net (8.6.10/930601.1506) id TAA28759; Mon, 6 Mar 1995 19:05:17 -0500 Received: from jubal.mdli.com by iat.holonet.net (GUENTER@mdli.com) id QAA02275; Mon, 6 Mar 1995 16:05:16 -0800 Received: from gimli.mdli.com by jubal.mdli.com (AIX 3.2/UCB 5.64/9393.1) id AA44853; Mon, 6 Mar 1995 16:04:10 -0800 Received: from mdli.com by mdli.com (PMDF V4.3-10 #6626) id <01HNTKMDA1DEHV0Y8T@mdli.com>; Mon, 06 Mar 1995 16:05:16 -0800 (PST) Date: Mon, 06 Mar 1995 16:05:16 -0800 (PST) From: GUENTER GRETHE Subject: CINF Division - Symposia Suggestions To: chemistry@ccl.net, chminf-l@iubvm.ucs.indiana.edu Cc: chemind-l@derwent.co.uk Message-Id: <01HNTKMDA1DGHV0Y8T@mdli.com> X-Vms-To: IN%"chemistry@ccl.net", IN%"chminf-l@iubvm.ucs.indiana.edu" X-Vms-Cc: IN%"chemind-l@derwent.co.uk",GUENTER Mime-Version: 1.0 Content-Type: TEXT/PLAIN; CHARSET=US-ASCII Content-Transfer-Encoding: 7BIT The Program Committee of the Chemical Information Division (CINF) of ACS invites suggestions for symposia to be held at future ACS meetings (post- Chicago). These symposia should address the vital and changing role chemical information plays in all areas of chemistry, from synthesis to regulatory affairs and global business. Please send your ideas and suggested symposia titles, including a summary of the topics to be covered, and a list of potential speakers and organizers to the address listed below. Submitted suggestions will be discussed and evaluated by the CINF Program Committee at its regular meetings at ACS meetings. Send to: Guenter Grethe CINF Program Chairman MDL Information Systems, Inc. 14600 Catalina Street San Leandro, CA 94577 Tel: 510 895 1313 Fax: 510 614 3652 e-mail: guenter@mdli.com From MARLA@chemf.rutgers.edu Mon Mar 6 21:10:11 1995 Received: from chemf.rutgers.edu for MARLA@chemf.rutgers.edu by www.ccl.net (8.6.10/930601.1506) id UAA29819; Mon, 6 Mar 1995 20:23:56 -0500 Date: Mon, 6 Mar 95 20:25 EST From: Marla Babcock Subject: CCL support To: CHEMISTRY@ccl.net Message-id: <3077111CA0FF20142B@chemf.rutgers.edu> X-Organization: Department of Chemistry at Rutgers University X-Envelope-to: CHEMISTRY@ccl.net X-VMS-To: IN%"CHEMISTRY@ccl.net " Can someone please repost the information necessary to send support to Jan and the CCL. How much time is there left for support letters to get through? Thanks in Advance, MSB