Computational Methods in Chemistry
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Published By Springer US

9781468437300, 9781468437287

Latest Documents Most Cited Documents Contributed Authors Related Sources Related Keywords

Computed Physical Properties of Small Molecules

Computational Methods in Chemistry ◽

10.1007/978-1-4684-3728-7_7 ◽

1980 ◽

pp. 157-174 ◽

Cited By ~ 4

Author(s):

Wilfried Meyer ◽

Peter Botschwina ◽

Pavel Rosmus ◽

Hans-Joachim Werner

Keyword(s):

Physical Properties ◽

Small Molecules

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The Solution to the General Problem of Spectral Analysis Illustrated with Examples from NMR

Computational Methods in Chemistry ◽

10.1007/978-1-4684-3728-7_2 ◽

1980 ◽

pp. 15-36 ◽

Cited By ~ 1

Author(s):

Gerhard Binsch

Keyword(s):

Spectral Analysis ◽

General Problem

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Determination of the Structures of Organic Molecules by Computer Evaluation and Simulation of Infrared and Raman Spectra

Computational Methods in Chemistry ◽

10.1007/978-1-4684-3728-7_3 ◽

1980 ◽

pp. 37-64

Author(s):

Bernhard Schrader ◽

Daniel Bougeard ◽

Werner Niggemann

Keyword(s):

Raman Spectra ◽

Organic Molecules ◽

Infrared And Raman Spectra ◽

Computer Evaluation

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Phenomena in Photoelectron Spectroscopy and their Theoretical Calculation

Computational Methods in Chemistry ◽

10.1007/978-1-4684-3728-7_4 ◽

1980 ◽

pp. 65-102

Author(s):

W. von Niessen ◽

L. S. Cederbaum ◽

W. Domcke ◽

J. Schirmer

Keyword(s):

Theoretical Calculation ◽

Photoelectron Spectroscopy

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The Application of Ab Initio Quantum Chemistry to Problems of Current Interest Raised by Experimentalists

Computational Methods in Chemistry ◽

10.1007/978-1-4684-3728-7_9 ◽

1980 ◽

pp. 203-237 ◽

Cited By ~ 3

Author(s):

P. S. Bagus ◽

B. Liu ◽

A. D. McLean ◽

M. Yoshimine

Keyword(s):

Quantum Chemistry ◽

Ab Initio ◽

Current Interest

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Computer Programs for the Deductive Solution of Chemical Problems on the Basis of Mathematical Models — A Systematic Bilateral Approach to Reaction Pathways

Computational Methods in Chemistry ◽

10.1007/978-1-4684-3728-7_11 ◽

1980 ◽

pp. 275-300 ◽

Cited By ~ 2

Author(s):

I. Ugi ◽

J. Bauer ◽

J. Brandt ◽

J. Friedrich ◽

J. Gasteiger ◽

...

Keyword(s):

Mathematical Models ◽

Computer Programs ◽

Reaction Pathways ◽

Bilateral Approach

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Setting Up, Using, and Maintaining Computer-Readable Spectra Compilations

Computational Methods in Chemistry ◽

10.1007/978-1-4684-3728-7_1 ◽

1980 ◽

pp. 1-14

Author(s):

J. T. Clerc ◽

H. Könitzer

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Calculation of Electronically Excited States in Molecules: Intensity and Vibrational Structure of Spectra, Photochemical Implications

Computational Methods in Chemistry ◽

10.1007/978-1-4684-3728-7_8 ◽

1980 ◽

pp. 175-202 ◽

Cited By ~ 4

Author(s):

S. D. Peyerimhoff ◽

R. J. Buenker

Keyword(s):

Excited States ◽

Vibrational Structure ◽

Electronically Excited States ◽

Electronically Excited

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Novel Radical Ions: Generation and Properties. An Interim Report on PES and ESR Investigations by the Frankfurt Group

Computational Methods in Chemistry ◽

10.1007/978-1-4684-3728-7_5 ◽

1980 ◽

pp. 103-132 ◽

Cited By ~ 5

Author(s):

H. Bock ◽

G. Brähler ◽

W. Kaim ◽

M. Kira ◽

B. Roth ◽

...

Keyword(s):

Interim Report ◽

Radical Ions

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Recent Developments in Computational Chemistry in the U.S.: the NRCC (National Resource for Computation in Chemistry)

Computational Methods in Chemistry ◽

10.1007/978-1-4684-3728-7_12 ◽

1980 ◽

pp. 301-315 ◽

Cited By ~ 1

Author(s):

William A. Lester

Keyword(s):

Computational Chemistry ◽

Recent Developments ◽

The U.S ◽

National Resource

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Computational Methods in ChemistryLatest Publications

TOTAL DOCUMENTS

H-INDEX

Published By Springer US

Computed Physical Properties of Small Molecules

The Solution to the General Problem of Spectral Analysis Illustrated with Examples from NMR

Determination of the Structures of Organic Molecules by Computer Evaluation and Simulation of Infrared and Raman Spectra

Phenomena in Photoelectron Spectroscopy and their Theoretical Calculation

The Application of Ab Initio Quantum Chemistry to Problems of Current Interest Raised by Experimentalists

Computer Programs for the Deductive Solution of Chemical Problems on the Basis of Mathematical Models — A Systematic Bilateral Approach to Reaction Pathways

Setting Up, Using, and Maintaining Computer-Readable Spectra Compilations

Calculation of Electronically Excited States in Molecules: Intensity and Vibrational Structure of Spectra, Photochemical Implications

Novel Radical Ions: Generation and Properties. An Interim Report on PES and ESR Investigations by the Frankfurt Group

Recent Developments in Computational Chemistry in the U.S.: the NRCC (National Resource for Computation in Chemistry)

Computational Methods in Chemistry
Latest Publications