Automated Discovery of Elementary Chemical Reaction Steps Using Freezing String and Berny Optimization Methods

Automated Discovery ◽

Elementary Chemical-Reaction Processes on Silicon Surfaces*1

Japanese Journal of Applied Physics ◽

10.1143/jjap.32.1171 ◽

1993 ◽

Vol 32 (Part 1, No. 3A) ◽

pp. 1171-1181 ◽

Cited By ~ 26

Author(s):

Jun Yoshinobu ◽

Shin-ichiro Tanaka ◽

Mitsuaki Nishijima

Keyword(s):

Chemical Reaction ◽

Silicon Surfaces ◽

Reaction Processes ◽

Resonances in the Entrance Channel of the Elementary Chemical Reaction of Fluorine and Methane

Angewandte Chemie International Edition ◽

10.1002/anie.201307822 ◽

2013 ◽

Vol 53 (4) ◽

pp. 1122-1126 ◽

Cited By ~ 51

Author(s):

Till Westermann ◽

Jongjin B. Kim ◽

Marissa L. Weichman ◽

Christian Hock ◽

Tara I. Yacovitch ◽

...

Keyword(s):

Chemical Reaction ◽

Entrance Channel ◽

D143 Numerical Study on Diesel Combustion Using a Computational Fluid Dynamics Code Accounting for the Finite-rate Elementary Chemical Reaction

The Proceedings of the Thermal Engineering Conference ◽

10.1299/jsmeted.2006.139 ◽

2006 ◽

Vol 2006 (0) ◽

pp. 139-140

Author(s):

Yusuke Shibuya ◽

Hisayasu Nishiura ◽

Tomomi Onishi ◽

Shigeki Nakayama ◽

Jin Kusaka

Keyword(s):

Fluid Dynamics ◽

Computational Fluid Dynamics ◽

Chemical Reaction ◽

Numerical Study ◽

Diesel Combustion ◽

Finite Rate ◽

ChemInform Abstract: Kinetic Study of the Elementary Chemical Reaction H(2S1/2) + O2(1Δg) → OH(2Π) + O(3P) in the Gas Phase.

Chemischer Informationsdienst ◽

10.1002/chin.198632029 ◽

1986 ◽

Vol 17 (32) ◽

Author(s):

W. HACK ◽

H. KURZKE

Keyword(s):

Kinetic Study ◽

Gas Phase ◽

Chemical Reaction ◽

Phenomenological description of selected elementary chemical reaction mechanisms: An information-theoretic study

Physics Letters A ◽

10.1016/j.physleta.2009.12.018 ◽

2010 ◽

Vol 374 (7) ◽

pp. 948-951 ◽

Cited By ~ 18

Author(s):

R.O. Esquivel ◽

N. Flores-Gallegos ◽

C. Iuga ◽

E.M. Carrera ◽

J.C. Angulo ◽

...

Keyword(s):

Chemical Reaction ◽

Reaction Mechanisms ◽

Phenomenological Description ◽

Information Theoretic ◽

Chemical Reaction Mechanisms ◽

Kinetic study of the elementary chemical reaction atomic hydrogen(2S1/2) + molecular oxygen(1.DELTA.g) .fwdarw. hydroxyl(2.pi.) + atomic oxygen(3P) in the gas phase

The Journal of Physical Chemistry ◽

10.1021/j100400a032 ◽

1986 ◽

Vol 90 (9) ◽

pp. 1900-1906 ◽

Cited By ~ 19

Author(s):

W. Hack ◽

H. Kurzke

Keyword(s):

Kinetic Study ◽

Gas Phase ◽

Molecular Oxygen ◽

Chemical Reaction ◽

Atomic Hydrogen ◽

Atomic Oxygen ◽

Observation of Laser Speckle Effects and Nonclassical Kinetics in an Elementary Chemical Reaction

Physical Review Letters ◽

10.1103/physrevlett.85.666 ◽

2000 ◽

Vol 85 (3) ◽

pp. 666-669 ◽

Cited By ~ 22

Author(s):

Eric Monson ◽

Raoul Kopelman

Keyword(s):

Chemical Reaction ◽

Laser Speckle ◽

Anatomy of an Elementary Chemical Reaction

Journal of Chemical Education ◽

10.1021/ed075p1105 ◽

1998 ◽

Vol 75 (9) ◽

pp. 1105 ◽

Cited By ~ 13

Author(s):

Andrew J. Alexander ◽

Richard N. Zare

Keyword(s):

Chemical Reaction ◽

Resonances in the Entrance Channel of the Elementary Chemical Reaction of Fluorine and Methane

Angewandte Chemie ◽

10.1002/ange.201307822 ◽

2013 ◽

Vol 126 (4) ◽

pp. 1140-1144 ◽

Cited By ~ 3

Author(s):

Till Westermann ◽

Jongjin B. Kim ◽

Marissa L. Weichman ◽

Christian Hock ◽

Tara I. Yacovitch ◽

...

Keyword(s):

Chemical Reaction ◽

Entrance Channel ◽

Thermodynamics of non-elementary chemical reaction networks

New Journal of Physics ◽

10.1088/1367-2630/abafea ◽

2020 ◽

Vol 22 (9) ◽

pp. 093040

Author(s):

Francesco Avanzini ◽

Gianmaria Falasco ◽

Massimiliano Esposito

Keyword(s):

Chemical Reaction ◽

Chemical Reaction Networks ◽

Reaction Networks ◽