Theoretical and Computational Models for Organic Chemistry
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19

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Published By Springer Netherlands

9789401055895, 9789401135849

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Predicting the Three-Dimensional Structure of Proteins by Homology-Based Model Building

Theoretical and Computational Models for Organic Chemistry ◽

10.1007/978-94-011-3584-9_9 ◽

1991 ◽

pp. 137-158 ◽

Author(s):

Gerald M. Maggiora ◽

S. Lakshmi Narasimhan ◽

Cindy A. Granatir ◽

James R. Blinn ◽

Joseph B. Moon

Keyword(s):

Model Building ◽

Three Dimensional ◽

Dimensional Structure ◽

Three Dimensional Structure ◽

Structure Of Proteins

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Molecular Mechanics

Theoretical and Computational Models for Organic Chemistry ◽

10.1007/978-94-011-3584-9_8 ◽

1991 ◽

pp. 125-135 ◽

Author(s):

N. L. Allinger

Keyword(s):

Molecular Mechanics

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An Exploratory Study to Correlate Experimental and Theoretical Acidities of Organic Molecules

Theoretical and Computational Models for Organic Chemistry ◽

10.1007/978-94-011-3584-9_15 ◽

1991 ◽

pp. 335-353

Author(s):

C. Ögretir ◽

N. Kaniskan

Keyword(s):

Exploratory Study ◽

Organic Molecules

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Understanding Chemical Reactivity Through the Intersecting-State Model

Theoretical and Computational Models for Organic Chemistry ◽

10.1007/978-94-011-3584-9_10 ◽

1991 ◽

pp. 159-205 ◽

Author(s):

Sebastião J. Formosinho

Keyword(s):

Chemical Reactivity ◽

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Excited State Proton Transfer Reactions

Theoretical and Computational Models for Organic Chemistry ◽

10.1007/978-94-011-3584-9_14 ◽

1991 ◽

pp. 315-334

Author(s):

Noam Agmon

Keyword(s):

Excited State ◽

Proton Transfer ◽

Transfer Reactions ◽

Excited State Proton Transfer ◽

Proton Transfer Reactions

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The Self-Consistent Reaction Field Model for Molecular Computations in Solution

Theoretical and Computational Models for Organic Chemistry ◽

10.1007/978-94-011-3584-9_5 ◽

1991 ◽

pp. 79-92 ◽

Author(s):

Jean-Louis Rivail ◽

Daniel Rinaldi ◽

Manuel F. Ruiz-Lopez

Keyword(s):

Field Model ◽

The Self ◽

Reaction Field ◽

Self Consistent ◽

Molecular Computations

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Double Many-Body Expansion Potential Energy Surface for O4(3A), Dynamics of the O(3P) + O3(1A1) Reaction, and Second Virial Coefficients of Molecular Oxygen

Theoretical and Computational Models for Organic Chemistry ◽

10.1007/978-94-011-3584-9_4 ◽

1991 ◽

pp. 55-78 ◽

Author(s):

A. J. C. Varandas ◽

A. A. C. C. Pais

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Molecular Oxygen ◽

Energy Surface ◽

Virial Coefficients ◽

Many Body ◽

Second Virial Coefficients

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The States of an Electron Pair and Photochemical Reactivity

Theoretical and Computational Models for Organic Chemistry ◽

10.1007/978-94-011-3584-9_11 ◽

1991 ◽

pp. 207-251

Author(s):

Josef Michl

Keyword(s):

Electron Pair ◽

Photochemical Reactivity

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Variational Transition State Theory Calculations of Concerted Hydrogen Atom Tunneling in Water Clusters and Formaldehyde/Water Clusters

Theoretical and Computational Models for Organic Chemistry ◽

10.1007/978-94-011-3584-9_3 ◽

1991 ◽

pp. 35-54 ◽

Author(s):

Bruce C. Garrett ◽

Carl F. Melius

Keyword(s):

Hydrogen Atom ◽

Transition State ◽

Transition State Theory ◽

Water Clusters ◽

State Theory ◽

Variational Transition State Theory ◽

Variational Transition State

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New Symmetry Theorems and Similarity Rules for Transition Structures

Theoretical and Computational Models for Organic Chemistry ◽

10.1007/978-94-011-3584-9_6 ◽

1991 ◽

pp. 93-110

Author(s):

Paul G Mezey

Keyword(s):

Transition Structures

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