Computational Analysis of the Mechanism of Chemical Reactions in Terms of Reaction Phases: Hidden Intermediates and Hidden Transition States

Accounts of Chemical Research ◽

10.1021/ar900013p ◽

2010 ◽

Vol 43 (5) ◽

pp. 591-601 ◽

Author(s):

Elfi Kraka ◽

Dieter Cremer

Keyword(s):

Chemical Reactions ◽

Computational Analysis ◽

Transition States

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ChemInform Abstract: GROUP THEORETICAL SELECTION RULES FOR THE TRANSITION STATES OF CHEMICAL REACTIONS

Chemischer Informationsdienst ◽

10.1002/chin.197536107 ◽

1975 ◽

Vol 6 (36) ◽

pp. no-no

Author(s):

RICHARD E. STANTON ◽

JAMES W. JUN. MCIVER

Keyword(s):

Chemical Reactions ◽

Transition States ◽

Selection Rules ◽

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Real‐time femtosecond probing of ‘‘transition states’’ in chemical reactions

The Journal of Chemical Physics ◽

10.1063/1.453122 ◽

1987 ◽

Vol 87 (4) ◽

pp. 2395-2397 ◽

Author(s):

Marcos Dantus ◽

Mark J. Rosker ◽

Ahmed H. Zewail

Keyword(s):

Real Time ◽

Chemical Reactions ◽

Transition States

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Classical transition states for collinear chemical reactions

Molecular Physics ◽

10.1080/00268978100101951 ◽

1981 ◽

Vol 43 (5) ◽

pp. 1175-1183

Author(s):

V.W. Maslen

Keyword(s):

Chemical Reactions ◽

Transition States ◽

Classical Transition

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Correction to Mechanisms and Transition States of 1,3-Dipolar Cycloadditions of Phenyl Azide with Enamines: A Computational Analysis

The Journal of Organic Chemistry ◽

10.1021/jo400863u ◽

2013 ◽

Vol 78 (10) ◽

pp. 5115-5115 ◽

Author(s):

Steven A. Lopez ◽

Morton E. Munk ◽

K. N. Houk

Keyword(s):

Computational Analysis ◽

Transition States ◽

Phenyl Azide ◽

Dipolar Cycloadditions

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Efficient methods for finding transition states in chemical reactions: Comparison of improved dimer method and partitioned rational function optimization method

The Journal of Chemical Physics ◽

10.1063/1.2104507 ◽

2005 ◽

Vol 123 (22) ◽

pp. 224101 ◽

Author(s):

Andreas Heyden ◽

Alexis T. Bell ◽

Frerich J. Keil

Keyword(s):

Rational Function ◽

Chemical Reactions ◽

Transition States ◽

Optimization Method ◽

Function Optimization

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Shock Induced Chemical Reactions of Intermetallic Mixture of Nickel and Aluminum and Associated Transition States

Journal of Materials Science and Chemical Engineering ◽

10.4236/msce.2021.94007 ◽

2021 ◽

Vol 09 (04) ◽

pp. 60-67

Author(s):

Vindhya Narayanan ◽

Sathya Hanagud

Keyword(s):

Chemical Reactions ◽

Transition States

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Reactants, products, and transition states of elementary chemical reactions based on quantum chemistry

Scientific Data ◽

10.1038/s41597-020-0460-4 ◽

2020 ◽

Vol 7 (1) ◽

Author(s):

Colin A. Grambow ◽

Lagnajit Pattanaik ◽

William H. Green

Keyword(s):

Quantum Chemistry ◽

Chemical Reactions ◽

Transition States ◽

Elementary Chemical

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Stereochemistry of transition states and mechanisms of chemical reactions on silica surface

Reaction Kinetics and Catalysis Letters ◽

10.1007/bf02062194 ◽

1993 ◽

Vol 50 (1-2) ◽

pp. 89-96 ◽

Author(s):

Yu. I. Gorlov

Keyword(s):

Chemical Reactions ◽

Silica Surface ◽

Transition States

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Bifurcation of no-return transition states in many-body chemical reactions

The Journal of Chemical Physics ◽

10.1063/1.3079819 ◽

2009 ◽

Vol 130 (12) ◽

pp. 124116 ◽

Author(s):

Chun-Biu Li ◽

Mikito Toda ◽

Tamiki Komatsuzaki

Keyword(s):

Chemical Reactions ◽

Transition States ◽

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Group theoretical selection rules for the transition states of chemical reactions

Journal of the American Chemical Society ◽

10.1021/ja00846a012 ◽

1975 ◽

Vol 97 (13) ◽

pp. 3632-3646 ◽

Author(s):

Richard E. Stanton ◽

James W. McIver

Keyword(s):

Chemical Reactions ◽

Transition States ◽

Selection Rules

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