Chemical Workbench - Integrated environment for materials science

Computational Materials Science

Volumn 28, Issue 2, 2003, Pages 169-178

  Deminsky, M ^a,b   Chorkov, V ^b   Belov, G ^c   Cheshigin, I ^b   Knizhnik, A ^b   Shulakova, E ^b   Shulakov, M ^b   Iskandarova, I ^b   Alexandrov, V ^b   Petrusev, A ^a   Kirillov, I ^a   Strelkova, M ^a   Umanski, S ^d   Potapkin, B ^a  

^a KURCHATOV INSTITUTE   (Russian Federation)

^b Kinetic Technologies Ltd   (Russian Federation)

^c RUSSIAN ACADEMY OF SCIENCES   (Russian Federation)

^d SEMENOV INSTITUTE OF CHEMICAL PHYSICS   (Russian Federation)

Author keywords

Chemical kinetics; Computer aided simulation; Database; Thermodynamics

Indexed keywords

COMPUTER AIDED ANALYSIS; COMPUTER SIMULATION; DATABASE SYSTEMS; REACTION KINETICS; THERMODYNAMICS;

INTEGRATED SIMULATION ENVIRONMENT;

MATERIALS SCIENCE;

EID: 0142008380     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0927-0256(03)00105-8     Document Type: Conference Paper

References (8)

1. Web site: www.kintech.ru.
2. Aarik J., Aidla A., Mandar H., Uustrate T., Sammelselg V. Thin Solid Films. 408:2002;97.
3. Nikitin E.E. Theory of Elementary Atomic and Molecular Processes in Gases. 1974;Clarendon, Oxford.
4. M. Deminsky, A. Knizhnik, I. Belov, S. Umanskii, E. Rykova, A. Bagatur'yants, B.V. Potapkin, A.A. Korkin, Surface Science, submitted for publication.
5. Chase M.W. Jr., Davies C.A., Davies J.R. Jr., Fulrip D.J., McDonald R.A., Syverud A.N. JANAF Thermochemical Tables, 3rd edition. Journal of Physical and Chemical Reference Data. 4(suppl. 1):1985.
6. Web site: www.reactiondesign.com.
7. M.J. Frisch et al., Gaussian 98, rev A.7, Gaussian, Inc., Pittsburgh, PA, 1998.
8. Chernyi G.G., Losev S.A., Macheret S.O., Potapkin B.V. Physical and Chemical Processes and Gas Dynamics: Cross Sections and Rate Constants. Progress in Astronautics and Aeronautics. vol. 196:2002;AIAA.