Supercomputer Algorithms for Reactivity, Dynamics and Kinetics of Small Molecules
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Published By Springer Netherlands

9789401069151, 9789400909458

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Potential Energy Surfaces of Several Elementary Chemical Reactions

Supercomputer Algorithms for Reactivity, Dynamics and Kinetics of Small Molecules ◽

10.1007/978-94-009-0945-8_3 ◽

1989 ◽

pp. 37-56 ◽

Author(s):

Keiji Morokuma ◽

Koichi Yamashita ◽

Satoshi Yabushita

Keyword(s):

Potential Energy ◽

Chemical Reactions ◽

Potential Energy Surfaces ◽

Energy Surfaces ◽

Elementary Chemical

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Intramolecular Energy Transfer in HC and HO Overtone Excited Molecules

Supercomputer Algorithms for Reactivity, Dynamics and Kinetics of Small Molecules ◽

10.1007/978-94-009-0945-8_21 ◽

1989 ◽

pp. 357-366

Author(s):

J. Santamaría ◽

A. García Ayllón ◽

C. Getino ◽

P. A. Enríquez

Keyword(s):

Energy Transfer ◽

Intramolecular Energy Transfer ◽

Excited Molecules

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The Calculation of Ro-Vibrational Spectra Using Supercomputers

Supercomputer Algorithms for Reactivity, Dynamics and Kinetics of Small Molecules ◽

10.1007/978-94-009-0945-8_16 ◽

1989 ◽

pp. 261-270 ◽

Author(s):

Jonathan Tennyson ◽

Steven Miller ◽

Brian T. Sutcliffe

Keyword(s):

Vibrational Spectra

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Computed Potential Energy Surfaces for Chemical Reactions

Supercomputer Algorithms for Reactivity, Dynamics and Kinetics of Small Molecules ◽

10.1007/978-94-009-0945-8_5 ◽

1989 ◽

pp. 73-83

Author(s):

Stephen P. Walch ◽

Celeste McMichael Rohlfing

Keyword(s):

Potential Energy ◽

Chemical Reactions ◽

Potential Energy Surfaces ◽

Energy Surfaces

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An Ab Initio Study on the Coordination of Formaldehyde, Carbon Dioxide, Dinitrogen, and Related Molecules to Iron(0) and Nickel(0) Fragments

Supercomputer Algorithms for Reactivity, Dynamics and Kinetics of Small Molecules ◽

10.1007/978-94-009-0945-8_6 ◽

1989 ◽

pp. 85-94

Author(s):

M. Rosi ◽

A. Sgamellotti ◽

F. Tarantelli ◽

C. Floriani

Keyword(s):

Carbon Dioxide ◽

Ab Initio ◽

Ab Initio Study

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Approximate Quantum Mechanical Calculations on Molecular Energy Transfer and Predissociation

Supercomputer Algorithms for Reactivity, Dynamics and Kinetics of Small Molecules ◽

10.1007/978-94-009-0945-8_18 ◽

1989 ◽

pp. 295-325

Author(s):

D. C. Clary

Keyword(s):

Energy Transfer ◽

Quantum Mechanical ◽

Quantum Mechanical Calculations

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Approximate Quantum Techniques for Atom Diatom Reactions

Supercomputer Algorithms for Reactivity, Dynamics and Kinetics of Small Molecules ◽

10.1007/978-94-009-0945-8_17 ◽

1989 ◽

pp. 271-294 ◽

Author(s):

A. Laganà ◽

E. Garcia ◽

O. Gervasi

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Calculation of Multichannel Eigenvalues and Resonances

Supercomputer Algorithms for Reactivity, Dynamics and Kinetics of Small Molecules ◽

10.1007/978-94-009-0945-8_14 ◽

1989 ◽

pp. 235-249

Author(s):

Roger W. Anderson

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Investigations with the Finite Element Method. The collinear H + H 2, F + H 2 and Ne + H + 2 reactions

Supercomputer Algorithms for Reactivity, Dynamics and Kinetics of Small Molecules ◽

10.1007/978-94-009-0945-8_13 ◽

1989 ◽

pp. 223-233

Author(s):

Ralph Jaquet

Keyword(s):

Finite Element Method ◽

Finite Element ◽

The Finite Element Method ◽

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How Variational Methods in Scattering Theory Work

Supercomputer Algorithms for Reactivity, Dynamics and Kinetics of Small Molecules ◽

10.1007/978-94-009-0945-8_10 ◽

1989 ◽

pp. 169-185

Author(s):

B. Ramachandran ◽

Robert E. Wyatt

Keyword(s):

Variational Methods ◽

Scattering Theory

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