ChemInform Abstract: THEORETICAL STUDIES OF SN2 TRANSITION STATES. 1. GEOMETRIES

Chemischer Informationsdienst ◽

10.1002/chin.198212115 ◽

1982 ◽

Vol 13 (12) ◽

Author(s):

S. WOLFE ◽

D. J. MITCHELL ◽

H. B. SCHLEGEL

Keyword(s):

Transition States ◽

Theoretical Studies

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ChemInform Abstract: THEORETICAL STUDIES OF SN2 TRANSITION STATES. 2. INTRINSIC BARRIERS, RATE-EQUILIBRIUM RELATIONSHIPS, AND THE MARCUS EQUATION

Chemischer Informationsdienst ◽

10.1002/chin.198212116 ◽

1982 ◽

Vol 13 (12) ◽

Author(s):

S. WOLFE ◽

D. J. MITCHELL ◽

H. B. SCHLEGEL

Keyword(s):

Transition States ◽

Theoretical Studies ◽

Marcus Equation ◽

Equilibrium Relationships

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Theoretical studies of transition states by the multioverlap molecular dynamics methods

The Journal of Chemical Physics ◽

10.1063/1.2171189 ◽

2006 ◽

Vol 124 (10) ◽

pp. 104103 ◽

Author(s):

Satoru G. Itoh ◽

Yuko Okamoto

Keyword(s):

Molecular Dynamics ◽

Transition States ◽

Theoretical Studies ◽

Molecular Dynamics Methods

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Theoretical studies of borylphosphine and its conjugate base. 2. Internal rotation and inversion transition states

Inorganic Chemistry ◽

10.1021/ic00035a033 ◽

1992 ◽

Vol 31 (9) ◽

pp. 1703-1705 ◽

Author(s):

Thomas L. Allen ◽

William H. Fink

Keyword(s):

Internal Rotation ◽

Transition States ◽

Theoretical Studies ◽

And Inversion ◽

Inversion Transition ◽

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ChemInform Abstract: Theoretical Studies of Diphosphene and Diphosphinylidene in Their Closed-Shell States, Low-Lying Open-Shell Singlet and Triplet States, and Transition States. Search for a Stable Bridged Structure

10.1002/chin.198708003 ◽

1987 ◽

Vol 18 (8) ◽

Author(s):

T. L. ALLEN ◽

A. C. SCHEINER ◽

Y. YAMAGUCHI ◽

H. F. III SCHAEFER

Keyword(s):

Transition States ◽

Closed Shell ◽

Triplet States ◽

Theoretical Studies ◽

Singlet And Triplet States

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Theoretical studies of diphosphene and diphosphinylidene in their closed-shell states, low-lying open-shell singlet and triplet states, and transition states. Search for a stable bridged structure

Journal of the American Chemical Society ◽

10.1021/ja00284a023 ◽

1986 ◽

Vol 108 (24) ◽

pp. 7579-7588 ◽

Author(s):

Thomas L. Allen ◽

Andrew C. Scheiner ◽

Yukio. Yamaguchi ◽

Henry F. Schaefer

Keyword(s):

Transition States ◽

Closed Shell ◽

Triplet States ◽

Theoretical Studies ◽

Singlet And Triplet States

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Theoretical Studies of the Transition States Along the Reaction Coordinates of [NIFE] Hydrogenase

Challenges and Advances in Computational Chemistry and Physics - Molecular Materials with Specific Interactions – Modeling and Design ◽

10.1007/1-4020-5372-x_9 ◽

2007 ◽

pp. 399-432

Author(s):

Hiroshi Nakano ◽

Szarek PaweŁ ◽

Kentaro Doi ◽

Akitomo Tachibana

Keyword(s):

Transition States ◽

Theoretical Studies ◽

Reaction Coordinates

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Theoretical studies of novel aromatic molecules and transition states

Pure and Applied Chemistry ◽

10.1351/pac199971020221 ◽

1999 ◽

Vol 71 (2) ◽

pp. 221-229 ◽

Author(s):

M. Nendel ◽

Bernd Goldfuss ◽

B. R. Beno ◽

K. N. Houk ◽

K. Hafner ◽

...

Keyword(s):

Transition States ◽

Theoretical Studies ◽

Aromatic Molecules

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Transition States of Amine-Catalyzed Aldol Reactions Involving Enamine Intermediates: Theoretical Studies of Mechanism, Reactivity, and Stereoselectivity

Journal of the American Chemical Society ◽

10.1021/ja011403h ◽

2001 ◽

Vol 123 (45) ◽

pp. 11273-11283 ◽

Author(s):

S. Bahmanyar ◽

K. N. Houk

Keyword(s):

Transition States ◽

Aldol Reactions ◽

Theoretical Studies

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Theoretical studies of elimination reactions. 2. The importance of periplanar transition states in E1cb-like eliminations. The gauche transition state of hydroxide + methoxyethane

Journal of the American Chemical Society ◽

10.1021/ja00033a008 ◽

1992 ◽

Vol 114 (7) ◽

pp. 2349-2354 ◽

Author(s):

Scott Gronert

Keyword(s):

Transition State ◽

Transition States ◽

Theoretical Studies ◽

Elimination Reactions

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ChemInform Abstract: Theoretical Studies of Borylphosphine and Its Conjugate Base. Part 2. Internal Rotation and Inversion Transition States

10.1002/chin.199232001 ◽

2010 ◽

Vol 23 (32) ◽

pp. no-no

Author(s):

T. L. ALLEN ◽

W. H. FINK

Keyword(s):

Internal Rotation ◽

Transition States ◽

Theoretical Studies ◽

And Inversion ◽

Inversion Transition ◽

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