Subject: Re: Quant. Chem. Lit. Database (QCLDB)

From: [email-masked] (Yoshihisa Inoue)
Date: Sun, 24 Apr 94 20:44:57 JST

Dr.J.Martin asked
>pardon me for asking, but can someone provide me with some information
>regarding the quantum chemistry literature database that is based in
>Japan.

Quantum Chemistry Literature Database(QCLDB) contains 23239 (@_@)
literatures now, and last year about 2000 literatures was updated.
It collected ab initio calculation bibliography from 1978.
The literature citations contained in QCLDB are restricted to those
concerning ab initio computations of atomic and molecular electronic
structures. A reference concerned only with the theory without reporting
any computation results is included, however, if it is judged to have
some relevance to molecular ab initio calculations. No semiempirical
calculations are cited.(^_^;)

The keywords are Author(s), Journal name , Volume, Page, Year, Compound
formulas, Methods of calculation, BASIS SETS, Physical properties,
Comments, and ID number.

Output example was already shown just a year ago, 
>From: [email-masked] (Suzane Sirois)
>Subject: CYSTEINE GEOM
>Date: Sun, 4 Apr 1993 00:47:41 -0500 (EST)
>
>THEODJ=Theochem (J.Mol.Struct.)
>U       SCHAFER L,SIAM K,KLIMKOWSKI V J,EWBANK J D,VAN ALSENOY C
>    JO       THEODJ
>    VO       63
>    PA       361
>    YE       90
>    CO       C3H7NO2S
>    ME       RHF
>    BA       GDZ,GEXT
>    PR       GEOM
>    COM       CYSTEINE , GEOMETRIES OF 10 CONFORMATIONS , 3-321G , POTEN
>             TIAL-ENERGY CURVES FOR THE N-C-C=O AND H-C-C-S TORSIONS , T
>             HE DEPENDANCE OF BOND ANGLES ON TORSIONAL ANGLES
>    ID       18381

It runs on IBM3090(VM/SP),Hitac M-series(VOS3),Hitac S-820(HAP Fortran),
FACOM M-series(OSIV),VAX-11/780(VMS),CRAY2(UNICOS4.0),IRIS-4D(Irix
System V), SUN Sparc(4.1), HP(HP-UX5.0),HP/APOLLO DN1000(DOMAIN/OS,
FTN10.7), ALLIANT(CONVENTRIX/FX/FORTRAN 4.2), HItachi 2050G(HI-UX),
IBM-RS6000.

It needs about 20-40 Mbytes disk. The media for distribution is
Magnet tape(non-label/ASCII 6250 or 1600) or Magnet tape
(non-label/EBCDIC 6250 or 1600) or 1/4" Cartridge tape(150MB
UNIX/tar(QIC120)).

Because It is released every October, the licence fee is higher 
between October to March, and cheaper between April to September.
October to March: Academic  about  60000yen (almost $ 600)
                  Industr.  about 210000yen (almost $2000)
April to Septem.: Academic  about  50000yen (almost $ 500)
				  Industr.  about 160000yen (almost $1500)

If you want more information, please contact to Ms.Kowata.
Japan Association for International Chemical Information
6-25-4 Hon-Komagome, Bunkyo-ku, Tokyo 113 Japan
tel: +81-3-5978-3622
fax: +81-3-5978-3600
telex: 272-3805 (JAICI J)

     ___/    ___/  ___/ Yoshihisa INOUE (^_^)
    /       /     /     the Green Cross Corp.
   / _ /   /     /      2-25-1 Shodai-Ohtani,Hirakata,Osaka 573 JAPAN
  /   /   /     /       tel: +81-720-56-9328
_____/ ____/ ____/      fax: +81-720-57-5020