About: POLYRATE 6.5: A new version of a computer program for the calculation of chemical reaction rates for polyatomics

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About: POLYRATE 6.5: A new version of a computer program for the calculation of chemical reaction rates for polyatomics Goto Sponge NotDistinct Permalink

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rdf:type	Item
description	article (en) wetenschappelijk artikel (nl) наукова стаття, опублікована в серпні 1995 (uk) article scientifique publié en 1995 (fr) im August 1995 veröffentlichter wissenschaftlicher Artikel (de)
publication date	wds:Q57402407-7538F373-5924-4561-B293-46E0BCC14738
publication date	1995-08-01 00:00:00Z (xsd:dateTime)
author name string	wds:Q57402407-0376BE09-6885-4382-A950-6ED977996414 wds:Q57402407-0B3915F6-A8F5-402C-B3A8-22B075DB37B7 wds:Q57402407-4313ABAD-9C98-44D8-9FD7-7E03881D96D2 wds:Q57402407-438A89A4-F44C-416F-B763-DF6046B95D72 wds:Q57402407-43F59BBF-9F18-4284-B3B5-A36F5B8B5DFA wds:Q57402407-443B4141-2355-4541-85B3-A0AB8BD0994B wds:Q57402407-572BFC86-95E8-4F62-BCF7-2E061625AE24 wds:Q57402407-8405B9D7-C158-4AE5-B5E0-1753EC6B3A84 wds:Q57402407-8D11D643-B081-49F7-8916-9BFD5F1A4B60 wds:Q57402407-944C2DD1-FC66-4895-8C0C-488C98481B23 wds:Q57402407-BA6EA7D3-E1FB-42C5-827C-B7F6ECB9D49F wds:Q57402407-C2265BC8-73CC-472A-9D47-B754F6B4686E wds:Q57402407-C8399F39-7EC5-4411-A470-2262787ACAF7
author name string	Wei-Ping Hu Yi-Ping Liu Alan D. Isaacson Bruce C. Garrett Gene C. Hancock Thanh N. Truong Tomi Joseph Rozeanne Steckler Sachchida N. Rai Gillian C. Lynch Vasilios S. Melissas Da-hong Lu J.G. Lauderdale
rdfs:label	POLYRATE 6.5: A new version of a computer program for the calculation of chemical reaction rates for polyatomics (en) POLYRATE 6.5: A new version of a computer program for the calculation of chemical reaction rates for polyatomics (nl)
skos:prefLabel	POLYRATE 6.5: A new version of a computer program for the calculation of chemical reaction rates for polyatomics (en) POLYRATE 6.5: A new version of a computer program for the calculation of chemical reaction rates for polyatomics (nl)
name	POLYRATE 6.5: A new version of a computer program for the calculation of chemical reaction rates for polyatomics (en) POLYRATE 6.5: A new version of a computer program for the calculation of chemical reaction rates for polyatomics (nl)
author	wds:Q57402407-57971BB1-B52F-4C9A-805D-E2A0F8502360
author	Donald Truhlar
title	wds:Q57402407-502355C8-2EF2-40FD-B442-A8AB99449A87
title	POLYRATE 6.5: A new version of a computer program for the calculation of chemical reaction rates for polyatomics (en)
page(s)	wds:Q57402407-65A9372E-B201-4696-8B34-3C50FFB46D53
page(s)	341-343
instance of	wds:Q57402407-723E6A0B-225B-4BE3-AA79-C569757DB9E7
instance of	scholarly article
main subject	wds:Q57402407-09E5FB38-BF36-49E8-A05A-C68B90C74D01
main subject	program
published in	wds:Q57402407-728E6FC1-997D-4144-8EFA-75C5019A75BD
published in	Computer Physics Communications
issue	wds:Q57402407-2760A526-0298-4FD1-ACE9-4E6357CBEDC6
volume	wds:Q57402407-DDD0F561-9317-455C-B3C4-F6D5022B6C50
issue	2-3
volume	88
DOI	wds:Q57402407-17B352C5-E935-4967-A573-D62AB6042512
DOI	http://dx.doi.org/10.1016/0010-4655(95)00037-G
DOI	10.1016/0010-4655(95)00037-G
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q57402407
is cites work of	Inclusion of quantum-mechanical vibrational energy in reactive potentials of mean force ABCRATE: A program for the calculation of atom-diatom reaction rates Skirting the transition state, a new paradigm in reaction rate theory Quantum instanton evaluations of surface diffusion, interior migration, and surface-subsurface transport for H/Ni POTLIB 2001: A potential energy surface library for chemical systems Force field variations along the torsional coordinates of CH3OH and CH3CHO Reaction-path dynamics with harmonic vibration frequencies in curvilinear internal coordinates: H+trans-N2H2→N2H+H 2 Reaction path dynamics and theoretical rate constants for the SiH 3 Cl+H→SiH 2 Cl+H 2 reaction by ab initio direct dynamics method
is cites work of	wds:Q43164066-B1E6CD5B-E45F-4E82-854B-DEC56096FD51 wds:Q57402240-0F04DFCD-9DA8-492E-9FE7-002AAA23ACF5 wds:Q57402385-C51FB784-8EAA-42A0-80A0-9A4D77EE62D0 wds:Q57402257-05EA22C7-E543-48D9-BD4A-82AAEFEE011A wds:Q58320104-8620FD0D-3B09-44D8-B0BD-76604DB89E0A wds:Q35133651-FA7EA315-F2EC-4A2F-96CC-245F50789B5C wds:Q57402284-E49DBFB0-C231-42E7-A3EC-C0C398C155D6 wds:Q57402377-B1376488-0914-4AB2-AF2E-355AA86C3E29

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