From owner-chemistry@ccl.net Thu Jan 12 09:27:00 2017 From: "Srinivasadesikan Venkatesan vsdgun*_*gmail.com" To: CCL Subject: CCL: Software for rate constant calculation Message-Id: <-52601-170112000623-905-MTxAZt+X4LwM6c4pQFPJpA*_*server.ccl.net> X-Original-From: "Srinivasadesikan Venkatesan" Date: Thu, 12 Jan 2017 00:06:22 -0500 Sent to CCL by: "Srinivasadesikan Venkatesan" [vsdgun**gmail.com] Hi, I am looking for the software to calculate the rate constant at various temperature and pressure for gas phase and gas surface reactions. Could you please suggest me the software other than VARIFLEX, Chemrate and KISTHELP. Thanks. My email id: vsdgun!^!gmail.com From owner-chemistry@ccl.net Thu Jan 12 11:10:00 2017 From: "Stefan Guessregen stefan.guessregen^_^sanofi.com" To: CCL Subject: CCL: Molecular Modelling Workshop March 27-29, 2017 in Erlangen, Germany Message-Id: <-52602-170112100530-21668-PduVcCZ/NsNSvUoNrO3ndA a server.ccl.net> X-Original-From: "Stefan Guessregen" Date: Thu, 12 Jan 2017 10:05:28 -0500 Sent to CCL by: "Stefan Guessregen" [stefan.guessregen+/-sanofi.com] Dear list subscribers, we are very happy to announce that also this year, the traditional Molecular Modelling Workshop in Erlangen takes place on March, Monday 27th to Wednesday 29th, 2017. Starting on Monday after lunch should allow to avoid travelling on weekend keeping the expenses at a minimum. This time, the scientific program of the meeting is conducted by Dr. Stefan Guessregen, Sanofi-Aventis Deutschland GmbH. As usual, the workshop is organised by the German Section of the Molecular Graphics and Modelling Society (MGMS-DS e.V.). The workshop encourages young scientists - especially graduate students - to present and discuss their research topics. Young scientists at the beginning of their academic careers will be able to meet new colleagues > from academia and gain feedback from industrial colleagues. Oral and poster contributions are welcome from all areas of molecular modeling - from the life sciences, computational biology and chemistry, cheminformatics, to materials sciences. ####### Plenary Speakers ####### Over the last few decades computational chemistry, molecular modelling, and chemoinformatics became more and more an integral part of research in various areas of the chemical industry and at universities. A lot of new tools and new approaches together with a huge increase in computer power facilitates this development. We are very happy to announce that three outstanding researchers from academia and industry accepted our invitation to present a plenary lecture at the workshop: Focal Topic "Molecular Modelling in a Pharma Environment": Richard Lewis, Novartis, Basel "25 years in Pharma: What has changed in the industry since 1991?" Focal Topic "Modelling in Toxicology/Polypharmacology/Preclinical Safety": Jordi Mestres, U of Barcelona "Systems Approaches to Drug Safety" Focal Topic "MD Simulations/Computational Biochemistry": Mark Sansom, U of Oxford "Protein-Membrane Interactions Viewed Through a Computational 'Microscope'" ####### Poster and Lecture Awards ####### As in the past years, there will be two poster awards of EUR 100 each and three lecture awards for the best contributed oral presentations: 1st winner: Travel bursary to attend the Young Modeller's Forum in London, UK, plus a speaker slot option at YMF (travel expenses are reimbursed up to EUR 500) 2nd winner: EUR 200 travel expenses reimbursement 3rd winner: EUR 100 travel expenses reimbursement Only undergraduate and graduate research students qualify for the poster and lecture awards. ####### Registration ####### As every year, an interesting and successful workshop depends on your contributions! Therefore let me invite you to submit talks and/or poster titles via the registration form accessible on the workshop website http://mmws2017.mgms-ds.de/?m=register This website will provide all necessary information about the meeting! The deadline for all submissions is February 24th, 2017. We are looking forward to meeting you in Erlangen soon! -Stefan Guessregen Scientific Committe Workshop Organisation 2017 -Harald Lanig Chairman of the MGMS-DS e.V. http://www.mgms-ds.org From owner-chemistry@ccl.net Thu Jan 12 11:44:00 2017 From: "Peter Jarowski peterjarowski++gmail.com" To: CCL Subject: CCL: Software for rate constant calculation Message-Id: <-52603-170112111213-17451-dNR/T96seyAGIi9P0goP0w.:.server.ccl.net> X-Original-From: Peter Jarowski Content-Type: multipart/alternative; boundary=001a11479df096730f0545e7faf6 Date: Thu, 12 Jan 2017 17:12:07 +0100 MIME-Version: 1.0 Sent to CCL by: Peter Jarowski [peterjarowski(!)gmail.com] --001a11479df096730f0545e7faf6 Content-Type: text/plain; charset=UTF-8 Hi, If you have TS data, you can try Tenua. Peter On Thu, Jan 12, 2017 at 6:06 AM, Srinivasadesikan Venkatesan vsdgun*_* gmail.com wrote: > > Sent to CCL by: "Srinivasadesikan Venkatesan" [vsdgun**gmail.com] > Hi, > > I am looking for the software to calculate the rate constant at various > temperature and pressure for gas phase and gas surface reactions. Could you > please suggest me the software other than VARIFLEX, Chemrate and KISTHELP. > Thanks. > My email id: vsdgun#gmail.com> > > --001a11479df096730f0545e7faf6 Content-Type: text/html; charset=UTF-8 Content-Transfer-Encoding: quoted-printable
Hi,

If you have TS data, you can tr= y Tenua.

Peter

On Thu, Jan 12, 2017 at 6:06 AM, Srinivasadesikan Venka= tesan vsdgun*_*gmail.com <owner-che= mistry,ccl.net> wrote:

Sent to CCL by: "Srinivasadesikan=C2=A0 Venkatesan" [vsdgun**gmail.com= ]
Hi,

I am looking for the software to calculate the rate constant at various
temperature and pressure for gas phase and gas surface reactions. Could you=
please suggest me the software other than VARIFLEX, Chemrate and KISTHELP.<= br> Thanks.
My email id: vsdgun#gmail.com



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