Ab initio self-consistent field calculation of the heats of formation of B2H6 and B2H7

Inorganic Chemistry ◽

10.1021/ic50118a056 ◽

1972 ◽

Vol 11 (12) ◽

pp. 3126-3128 ◽

Author(s):

John H. Hall ◽

Dennis S. Marynick ◽

William N. Lipscomb

Keyword(s):

Ab Initio ◽

Heats Of Formation ◽

Field Calculation ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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Acetylcholine, gauche or trans? Standard ab initio self-consistent field investigation

Journal of the American Chemical Society ◽

10.1021/ja00793a044 ◽

1973 ◽

Vol 95 (12) ◽

pp. 4059-4060 ◽

Author(s):

G. N. J. Port ◽

A. Pullman

Keyword(s):

Ab Initio ◽

Field Investigation ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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Self-Consistent Field Calculation of the Nuclear Boundary Diffuseness

Physical Review ◽

10.1103/physrev.102.455 ◽

1956 ◽

Vol 102 (2) ◽

pp. 455-457 ◽

Author(s):

James D. Talman

Keyword(s):

Field Calculation ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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A numerical Hartree self-consistent field calculation of an autoionization resonance parameters for a doubly excited 2s 2 , 3s 2 , and 4s 2 states of He atom with a complex absorbing potential

Chinese Physics B ◽

10.1088/1674-1056/26/8/083101 ◽

2017 ◽

Vol 26 (8) ◽

pp. 083101

Author(s):

Tsogbayar Tsednee ◽

Danny L Yeager

Keyword(s):

Field Calculation ◽

Resonance Parameters ◽

Consistent Field ◽

Doubly Excited ◽

Self Consistent ◽

Self Consistent Field ◽

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Ab initio self-consistent-field studies of the structure, energetics and bonding of small gallium arsenide clusters

Zeitschrift für Physik D ◽

10.1007/bf01437431 ◽

1995 ◽

Vol 33 (2) ◽

pp. 125-131 ◽

Author(s):

P. Piquini ◽

A. Fazzio ◽

S. Canuto

Keyword(s):

Gallium Arsenide ◽

Ab Initio ◽

Field Studies ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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Modeling amino acid side chains. 1. Determination of net atomic charges from ab initio self-consistent-field molecular electrostatic properties

The Journal of Physical Chemistry ◽

10.1021/j100204a034 ◽

1992 ◽

Vol 96 (25) ◽

pp. 10276-10284 ◽

Author(s):

Christophe Chipot ◽

Bernard Maigret ◽

Jean Louis Rivail ◽

Harold A. Scheraga

Keyword(s):

Ab Initio ◽

Atomic Charges ◽

Side Chains ◽

Electrostatic Properties ◽

Consistent Field ◽

Self Consistent ◽

Amino Acid Side Chains ◽

Self Consistent Field

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Numerical relativistic self-consistent field calculation of electron density and 〈r−3〉 for a number of electron configurations of iron and tin. Application to tin Mössbauer spectroscopy

The Journal of Chemical Physics ◽

10.1063/1.431324 ◽

1975 ◽

Vol 63 (12) ◽

pp. 5256-5262 ◽

Author(s):

J. L. K. F. de Vries ◽

J. M. Trooster ◽

P. Ros

Keyword(s):

Mössbauer Spectroscopy ◽

Electron Density ◽

Mossbauer Spectroscopy ◽

Field Calculation ◽

Mößbauer Spectroscopy ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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Ab initio calculation of the barrier to internal rotation in propylene using a Guassian basis self-consistent field wave function

Journal of the American Chemical Society ◽

10.1021/ja01033a001 ◽

1969 ◽

Vol 91 (5) ◽

pp. 1045-1052 ◽

Author(s):

Mark L. Unland ◽

John R. Van Wazer ◽

John H. Letcher

Keyword(s):

Wave Function ◽

Ab Initio ◽

Internal Rotation ◽

Ab Initio Calculation ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

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Multi-configuration self-consistent-field calculation of the dissociation energy and electronic structure of hydrogen fluoride

Molecular Physics ◽

10.1080/00268977400100841 ◽

1974 ◽

Vol 27 (4) ◽

pp. 917-921 ◽

Author(s):

M. Krauss ◽

D. Neumann

Keyword(s):

Electronic Structure ◽

Hydrogen Fluoride ◽

Dissociation Energy ◽

Field Calculation ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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Study on Raffenetti's P File Format in Conventional Ab Initio Self-Consistent-Field Molecular Orbital Calculations in Parallel Computational Environment

Journal of Computer Chemistry Japan ◽

10.2477/jccj.h2020 ◽

2008 ◽

Vol 7 (5) ◽

pp. 179-184

Author(s):

Hiroyuki TERAMAE ◽

Kazushige OHTAWARA

Keyword(s):

Ab Initio ◽

Molecular Orbital ◽

Molecular Orbital Calculations ◽

File Format ◽

Computational Environment ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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Ethylene Molecule in a Gaussian Basis. I. A Self‐Consistent‐Field Calculation

The Journal of Chemical Physics ◽

10.1063/1.1696184 ◽

1965 ◽

Vol 42 (5) ◽

pp. 1726-1731 ◽

Author(s):

J. W. Moskowitz ◽

M. C. Harrison

Keyword(s):

Field Calculation ◽

Ethylene Molecule ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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