ACS Symposium Series - Computational Thermochemistry
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Published By American Chemical Society

0841235333, 084121641x

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Computational Thermochemistry and Transition States

ACS Symposium Series - Computational Thermochemistry ◽

10.1021/bk-1998-0677.ch014 ◽

1998 ◽

pp. 267-284 ◽

Cited By ~ 2

Author(s):

Joesph L. Durant

Keyword(s):

Transition States

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Thermochemistry from Semiempirical Molecular Orbital Theory

ACS Symposium Series - Computational Thermochemistry ◽

10.1021/bk-1998-0677.ch008 ◽

1998 ◽

pp. 142-161 ◽

Cited By ~ 12

Author(s):

Walter Thiel

Keyword(s):

Molecular Orbital ◽

Molecular Orbital Theory ◽

Orbital Theory ◽

Semiempirical Molecular Orbital

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Subject Index

ACS Symposium Series - Computational Thermochemistry ◽

10.1021/bk-1998-0677.ix001 ◽

1998 ◽

pp. 455-470

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Estimation of the Enthalpies of Formation of Organic Componds in the Solid Phase

ACS Symposium Series - Computational Thermochemistry ◽

10.1021/bk-1998-0677.ch005 ◽

1998 ◽

pp. 94-104 ◽

Cited By ~ 3

Author(s):

Hussein Y. Afeefy ◽

Joel F. Liebman

Keyword(s):

Solid Phase ◽

Enthalpies Of Formation

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Use of Density Functional Methods To Compute Heats of Reactions

ACS Symposium Series - Computational Thermochemistry ◽

10.1021/bk-1998-0677.ch019 ◽

1998 ◽

pp. 359-368 ◽

Cited By ~ 1

Author(s):

Peter Politzer ◽

Jorge M. Seminario

Keyword(s):

Density Functional ◽

Density Functional Methods ◽

Functional Methods

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Complete Basis-Set Thermochemistry and Kinetics

ACS Symposium Series - Computational Thermochemistry ◽

10.1021/bk-1998-0677.ch013 ◽

1998 ◽

pp. 237-266 ◽

Cited By ~ 17

Author(s):

George A. Petersson

Keyword(s):

Basis Set ◽

Complete Basis ◽

Complete Basis Set

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Calculating Bond Strengths for Transition-Metal Complexes

ACS Symposium Series - Computational Thermochemistry ◽

10.1021/bk-1998-0677.ch011 ◽

1998 ◽

pp. 197-211 ◽

Cited By ~ 9

Author(s):

Margareta R. A. Blomberg ◽

Per E. M. Siegbahn

Keyword(s):

Transition Metal ◽

Metal Complexes ◽

Transition Metal Complexes ◽

Bond Strengths

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Calibration Study of Atomization Energies of Small Polyatomics

ACS Symposium Series - Computational Thermochemistry ◽

10.1021/bk-1998-0677.ch012 ◽

1998 ◽

pp. 212-236 ◽

Cited By ~ 15

Author(s):

Jan M. L. Martin

Keyword(s):

Calibration Study

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Ab Initio Calculations for Kinetic Modeling of Halocarbons

ACS Symposium Series - Computational Thermochemistry ◽

10.1021/bk-1998-0677.ch018 ◽

1998 ◽

pp. 341-358 ◽

Cited By ~ 3

Author(s):

R. J. Berry ◽

M. Schwartz ◽

Paul Marshall

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Kinetic Modeling

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Estimation of Enthalpies of Formation of Organic Compounds at Infinite Dilution in Water at 298.15 K

ACS Symposium Series - Computational Thermochemistry ◽

10.1021/bk-1998-0677.ch003 ◽

1998 ◽

pp. 47-62

Author(s):

Eugene S. Domalski

Keyword(s):

Organic Compounds ◽

Infinite Dilution ◽

Enthalpies Of Formation

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ACS Symposium Series - Computational ThermochemistryLatest Publications

TOTAL DOCUMENTS

H-INDEX

Published By American Chemical Society

Computational Thermochemistry and Transition States

Thermochemistry from Semiempirical Molecular Orbital Theory

Subject Index

Estimation of the Enthalpies of Formation of Organic Componds in the Solid Phase

Use of Density Functional Methods To Compute Heats of Reactions

Complete Basis-Set Thermochemistry and Kinetics

Calculating Bond Strengths for Transition-Metal Complexes

Calibration Study of Atomization Energies of Small Polyatomics

Ab Initio Calculations for Kinetic Modeling of Halocarbons

Estimation of Enthalpies of Formation of Organic Compounds at Infinite Dilution in Water at 298.15 K

ACS Symposium Series - Computational Thermochemistry
Latest Publications