Spectroscopic constants relating to ionization from the strongest bonding and inner valence molecular orbital 2σg of N2: An EIP-VUMRCC search

Chemical Physics Letters ◽

10.1016/j.cplett.2015.05.032 ◽

2015 ◽

Vol 634 ◽

pp. 88-94 ◽

Cited By ~ 2

Author(s):

Amitava Sharma ◽

Sudip Chattopadhyay ◽

Kalipada Adhikari ◽

Dhiman Sinha

Keyword(s):

Molecular Orbital ◽

Spectroscopic Constants ◽

Valence Molecular Orbital

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An ab Initio Molecular Orbital Prediction of the Spectroscopic Constants of [FORMULA][F][A][AC]X[/AC][AC][d5][/AC][/A][HSP SP="0.167"][ZW][SUP]1[/SUP]A[INF]1[/INF][/F][/FORMULA] M[CLC]g[/CLC]C[TINF]2[/TINF]

The Astrophysical Journal ◽

10.1086/312804 ◽

2000 ◽

Vol 538 (2) ◽

pp. L163-L165 ◽

Cited By ~ 3

Author(s):

Sachiko Itono ◽

Keiko Takano ◽

Tsuneo Hirano ◽

Umpei Nagashima

Keyword(s):

Ab Initio ◽

Molecular Orbital ◽

Spectroscopic Constants

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The tungsten-tungsten triple bond. 14. Factors influencing triple bonds between tungsten atoms having valence molecular orbital configurations of .sigma.2.pi.4 and .pi.4.delta.2 and preparation and characterization of bis(neopentyl)bis(acetato)bis(diethyldithiocarbamato)ditungsten

Journal of the American Chemical Society ◽

10.1021/ja00256a039 ◽

1987 ◽

Vol 109 (22) ◽

pp. 6817-6825 ◽

Cited By ~ 7

Author(s):

Malcolm H. Chisholm ◽

David L. Clark ◽

John C. Huffman ◽

William G. Van der Sluys

Keyword(s):

Molecular Orbital ◽

Triple Bond ◽

Triple Bonds ◽

Factors Influencing ◽

Valence Molecular Orbital

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DVMO (directed‐valence molecular orbital) method: A rotationally invariant approximate MO method preserving directed‐valence effects

The Journal of Chemical Physics ◽

10.1063/1.1681674 ◽

1974 ◽

Vol 61 (1) ◽

pp. 85-91 ◽

Cited By ~ 1

Author(s):

Patrick Coffey ◽

John R. Van Wazer

Keyword(s):

Molecular Orbital ◽

Orbital Method ◽

Molecular Orbital Method ◽

Valence Molecular Orbital ◽

Rotationally Invariant

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ChemInform Abstract: The Tungsten-Tungsten Triple Bond. Part 14. Factors Influencing Triple Bonds Between Tungsten Atoms Having Valence Molecular Orbital Configurations of σ2π4 and π4δ2 and Preparation and Characterization of Bis(neopentyl)bis(acetato)bis

ChemInform ◽

10.1002/chin.198808292 ◽

1988 ◽

Vol 19 (8) ◽

Author(s):

M. H. CHISHOLM ◽

D. L. CLARK ◽

J. C. HUFFMAN ◽

W. G. VAN DER SLUYS

Keyword(s):

Molecular Orbital ◽

Triple Bond ◽

Triple Bonds ◽

Factors Influencing ◽

Valence Molecular Orbital

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Erratum: Computed Potential Curve and Spectroscopic Constants for Beryllium Oxide Ground State in Molecular Orbital Approximation

The Journal of Chemical Physics ◽

10.1063/1.1726305 ◽

1964 ◽

Vol 41 (8) ◽

pp. 2554-2554

Author(s):

M. Yoshimine

Keyword(s):

Molecular Orbital ◽

Ground State ◽

Beryllium Oxide ◽

Potential Curve ◽

Spectroscopic Constants ◽

Orbital Approximation

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Binding energy shifts for carbon, nitrogen, oxygen, and sulfur core electrons from extended Hueckel theory valence molecular orbital potentials at the nuclei

Journal of the American Chemical Society ◽

10.1021/ja00773a007 ◽

1972 ◽

Vol 94 (18) ◽

pp. 6298-6301 ◽

Cited By ~ 7

Author(s):

Maurice E. Schwartz ◽

Jurgen D. Switalski

Keyword(s):

Binding Energy ◽

Molecular Orbital ◽

Valence Molecular Orbital ◽

Core Electrons

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The tungsten-tungsten triple bond. 13. Bisalkyl tetracarboxylates of dimolybdenum and ditungsten. Triple bonds between metal atoms with the valence molecular orbital description .pi.4.delta.2

Journal of the American Chemical Society ◽

10.1021/ja00256a038 ◽

1987 ◽

Vol 109 (22) ◽

pp. 6796-6816 ◽

Cited By ~ 22

Author(s):

Malcolm H. Chisholm ◽

David L. Clark ◽

John C. Huffman ◽

William G. Van der Sluys ◽

Edward M. Kober ◽

...

Keyword(s):

Molecular Orbital ◽

Triple Bond ◽

Triple Bonds ◽

Metal Atoms ◽

Valence Molecular Orbital

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ChemInform Abstract: The Tungsten-Tungsten Triple Bond. Part 13. Bisalkyl Tetracarboxylates of Dimolybdenum and Ditungsten. Triple Bonds Between Metal Atoms with the Valence Molecular Orbital Description π4δ2.

ChemInform ◽

10.1002/chin.198808291 ◽

1988 ◽

Vol 19 (8) ◽

Author(s):

M. H. CHISHOLM ◽

D. L. CLARK ◽

J. C. HUFFMAN ◽

W. G. VAN DER SLUYS ◽

E. M. KOBER ◽

...

Keyword(s):

Molecular Orbital ◽

Triple Bond ◽

Triple Bonds ◽

Metal Atoms ◽

Valence Molecular Orbital

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Calculations for photoelectron spectra of azoles by the AM1 method using a green's function approximation for the outer valence molecular orbital

Theoretical and Experimental Chemistry ◽

10.1007/bf00534448 ◽

1989 ◽

Vol 25 (6) ◽

pp. 659-661

Author(s):

D. K. Danovich ◽

V. G. Zakzhevskii ◽

V. K. Voronov ◽

E. S. Domnina

Keyword(s):

Green’S Function ◽

Molecular Orbital ◽

Green's Function ◽

Function Approximation ◽

Photoelectron Spectra ◽

Am1 Method ◽

Valence Molecular Orbital ◽

Outer Valence

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Dissociation enthalpy, spectroscopic constants, and other properties of selenium monofluoride (SeF) from a molecular orbital study

The Journal of Chemical Physics ◽

10.1063/1.1680863 ◽

1974 ◽

Vol 60 (10) ◽

pp. 4084-4085 ◽

Cited By ~ 7

Author(s):

P. A. G. O'Hare

Keyword(s):

Molecular Orbital ◽

Spectroscopic Constants ◽

Dissociation Enthalpy ◽

Molecular Orbital Study ◽

Orbital Study

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