Comparison of Ab Initio Quantum Chemistry with Experiment for Small Molecules
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Published By Springer Netherlands

9789401089173, 9789400954748

Latest Documents Most Cited Documents Contributed Authors Related Sources Related Keywords

Ab Initio SCF and CI Studies on the Ground State of the Water Molecule. III. Vibrational Analysis of Potential Energy and Property Surfaces

Comparison of Ab Initio Quantum Chemistry with Experiment for Small Molecules ◽

10.1007/978-94-009-5474-8_7 ◽

1985 ◽

pp. 171-215 ◽

Cited By ~ 19

Author(s):

Walter C. Ermler ◽

Bruce J. Rosenberg ◽

Isaiah Shavitt

Keyword(s):

Water Molecule ◽

Potential Energy ◽

Ab Initio ◽

Ground State ◽

Vibrational Analysis

Theoretical Characterization of Chemical Reactions of Importance in the Oxidation of Hydrocarbons: Reactions of Acetylene with Hydrogen and Oxygen Atoms

Comparison of Ab Initio Quantum Chemistry with Experiment for Small Molecules ◽

10.1007/978-94-009-5474-8_4 ◽

1985 ◽

pp. 67-94 ◽

Cited By ~ 1

Author(s):

Thom H. Dunning ◽

Lawrence B. Harding ◽

Albert F. Wagner ◽

George C. Schatz ◽

Joel M. Bowman

Keyword(s):

Chemical Reactions ◽

Oxidation Of Hydrocarbons ◽

Theoretical Characterization ◽

Oxygen Atoms

Excited States of Li2 and the Ground Electronic State of Li 2 +

Comparison of Ab Initio Quantum Chemistry with Experiment for Small Molecules ◽

10.1007/978-94-009-5474-8_11 ◽

1985 ◽

pp. 325-337

Author(s):

R. A. Bernheim ◽

L. P. Gold ◽

C. A. Tomczyk

Keyword(s):

Electronic State ◽

Excited States ◽

Ground Electronic State

Ab Initio Calculations of Radiative Transition Probabilities in Diatomic Molecules

Comparison of Ab Initio Quantum Chemistry with Experiment for Small Molecules ◽

10.1007/978-94-009-5474-8_10 ◽

1985 ◽

pp. 267-323 ◽

Cited By ~ 15

Author(s):

Hans-Joachim Werner ◽

Pavel Rosmus

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Transition Probabilities ◽

Diatomic Molecules ◽

Radiative Transition

Molecular Information from ESR Spectra: Transition Metal Molecules

Comparison of Ab Initio Quantum Chemistry with Experiment for Small Molecules ◽

10.1007/978-94-009-5474-8_1 ◽

1985 ◽

pp. 1-16 ◽

Cited By ~ 2

Author(s):

W. Weltner ◽

R. J. Van Zee

Keyword(s):

Transition Metal ◽

Esr Spectra ◽

Molecular Information ◽

Transition Metal Molecules

Vibrational and Rotational Transitions of Hydrogen Bonded Complexes from Theory and Experiment

Comparison of Ab Initio Quantum Chemistry with Experiment for Small Molecules ◽

10.1007/978-94-009-5474-8_9 ◽

1985 ◽

pp. 245-266 ◽

Cited By ~ 1

Author(s):

Clifford E. Dykstra ◽

James M. Lisy

Keyword(s):

Rotational Transitions ◽

Theory And Experiment ◽

Bonded Complexes ◽

Hydrogen Bonded

Theoretical Dissociation Energies for Ionic Molecules

Comparison of Ab Initio Quantum Chemistry with Experiment for Small Molecules ◽

10.1007/978-94-009-5474-8_13 ◽

1985 ◽

pp. 357-407

Author(s):

Stephen R. Langhoff ◽

Charles W. Bauschlicher ◽

Harry Partridge

Keyword(s):

Dissociation Energies

The Spectrum, Structure and Singlet-Triplet Splitting in Methylene CH2

Comparison of Ab Initio Quantum Chemistry with Experiment for Small Molecules ◽

10.1007/978-94-009-5474-8_6 ◽

1985 ◽

pp. 141-170 ◽

Cited By ~ 9

Author(s):

Philip R. Bunker

Keyword(s):

Triplet Splitting ◽

Spectrum Structure

Scattering of X-Rays and High-Energy Electrons from Molecules: Comparison of Ab Initio Calculations with Experiment

Comparison of Ab Initio Quantum Chemistry with Experiment for Small Molecules ◽

10.1007/978-94-009-5474-8_15 ◽

1985 ◽

pp. 439-462 ◽

Cited By ~ 2

Author(s):

A. N. Tripathi ◽

Vedene H. Smith

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

High Energy ◽

X Rays ◽

High Energy Electrons

Theory and Calculations on Small Molecules Using Propagator Methods with an AGP Reference

Comparison of Ab Initio Quantum Chemistry with Experiment for Small Molecules ◽

10.1007/978-94-009-5474-8_12 ◽

1985 ◽

pp. 339-355

Author(s):

Henry A. Kurtz ◽

Brian Weiner ◽

Yngve Öhrn

Keyword(s):

Small Molecules

Comparison of Ab Initio Quantum Chemistry with Experiment for Small MoleculesLatest Publications

TOTAL DOCUMENTS

H-INDEX

Published By Springer Netherlands

Ab Initio SCF and CI Studies on the Ground State of the Water Molecule. III. Vibrational Analysis of Potential Energy and Property Surfaces

Theoretical Characterization of Chemical Reactions of Importance in the Oxidation of Hydrocarbons: Reactions of Acetylene with Hydrogen and Oxygen Atoms

Excited States of Li2 and the Ground Electronic State of Li 2 +

Ab Initio Calculations of Radiative Transition Probabilities in Diatomic Molecules

Molecular Information from ESR Spectra: Transition Metal Molecules

Vibrational and Rotational Transitions of Hydrogen Bonded Complexes from Theory and Experiment

Theoretical Dissociation Energies for Ionic Molecules

The Spectrum, Structure and Singlet-Triplet Splitting in Methylene CH2

Scattering of X-Rays and High-Energy Electrons from Molecules: Comparison of Ab Initio Calculations with Experiment

Theory and Calculations on Small Molecules Using Propagator Methods with an AGP Reference

Comparison of Ab Initio Quantum Chemistry with Experiment for Small Molecules
Latest Publications