POTENTIAL ENERGY SURFACE OF [Cu(H2O)6]2+AND [Zn(H2O)6]2+DERIVED FROM AB INITIO MO CALCULATIONS

Mitsuru Sano; Hideo Yamatera

doi:10.1246/cl.1980.1495

POTENTIAL ENERGY SURFACE OF [Cu(H2O)6]2+AND [Zn(H2O)6]2+DERIVED FROM AB INITIO MO CALCULATIONS

Chemistry Letters ◽

10.1246/cl.1980.1495 ◽

1980 ◽

Vol 9 (12) ◽

pp. 1495-1496 ◽

Cited By ~ 9

Author(s):

Mitsuru Sano ◽

Hideo Yamatera

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Energy Surface ◽

Mo Calculations ◽

Ab Initio Mo Calculations ◽

Ab Initio Mo

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Ab initio MO studies on the potential energy surface of the methyl chloride radical anion

Journal of the American Chemical Society ◽

10.1021/ja00031a008 ◽

1992 ◽

Vol 114 (5) ◽

pp. 1593-1595 ◽

Cited By ~ 18

Author(s):

Tsukasa Tada ◽

Reiko Yoshimura

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Radical Anion ◽

Energy Surface ◽

Methyl Chloride ◽

Ab Initio Mo

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On the structure and stability of the AlH4 radical and its potential energy surface for rearrangement and dissociation: an ab initio MO study

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(91)85008-u ◽

1991 ◽

Vol 226 (3-4) ◽

pp. 285-301 ◽

Cited By ~ 8

Author(s):

Stephen S. Wong ◽

Wai-Kee Li ◽

Michael N. Paddon-Row

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Energy Surface ◽

Structure And Stability ◽

Ab Initio Mo

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Ab initio MO studies of van der Waals molecule (N2)2: Potential energy surface and internal motion

The Journal of Chemical Physics ◽

10.1063/1.477605 ◽

1998 ◽

Vol 109 (21) ◽

pp. 9434-9438 ◽

Cited By ~ 40

Author(s):

Akira Wada ◽

Hideto Kanamori ◽

Suehiro Iwata

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Energy Surface ◽

Van Der Waals ◽

Internal Motion ◽

Ab Initio Mo

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A GAUSSIAN-1 Type Ab Initio MO Study of the [CH2NO]+Potential Energy Surface. Theoretical Support for the Existence of Three Experimentally Distinguishable Isomers in the Gas Phase

Israel Journal of Chemistry ◽

10.1002/ijch.199300034 ◽

1993 ◽

Vol 33 (3) ◽

pp. 277-286 ◽

Cited By ~ 1

Author(s):

Jan Hrušák ◽

Max C. Holthausen ◽

Norman Goldberg ◽

Muhammad Iraqi ◽

Wolfram Koch ◽

...

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Gas Phase ◽

Energy Surface ◽

Theoretical Support ◽

Ab Initio Mo ◽

Type Ab

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ChemInform Abstract: Ab initio MO Study of the CH3N2+ Potential Energy Surface.

ChemInform ◽

10.1002/chin.198702100 ◽

1987 ◽

Vol 18 (2) ◽

Author(s):

W. KOCH ◽

N. HEINRICH ◽

H. SCHWARZ

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Energy Surface ◽

Ab Initio Mo

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Ab-initio MO calculations of the decay processes of HFCO on the triplet energy surface

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(00)00695-3 ◽

2001 ◽

Vol 538 (1-3) ◽

pp. 261-266 ◽

Cited By ~ 1

Author(s):

H. Tachikawa ◽

S. Abe ◽

T. Iyama

Keyword(s):

Ab Initio ◽

Energy Surface ◽

Mo Calculations ◽

Triplet Energy ◽

Ab Initio Mo Calculations ◽

Ab Initio Mo

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Ab initio MO study of potential energy surface of NH2 with CN reaction

International Journal of Quantum Chemistry ◽

10.1002/qua.20976 ◽

2006 ◽

Vol 106 (8) ◽

pp. 1827-1843 ◽

Cited By ~ 6

Author(s):

Benni Du ◽

Weichao Zhang

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Energy Surface ◽

Ab Initio Mo

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Ab Initio MO Study of the Global Potential Energy Surface of C4H4in Triplet Electronic State and the Reactions of C(3Pj) with C3H4(Allene and Propyne) and C2(A3Πu) with C2H4(X1A1g+)

Journal of the American Chemical Society ◽

10.1021/ja9935299 ◽

2000 ◽

Vol 122 (8) ◽

pp. 1776-1788 ◽

Cited By ~ 27

Author(s):

A. M. Mebel ◽

R. I. Kaiser ◽

Y. T. Lee

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Electronic State ◽

Energy Surface ◽

Ab Initio Mo

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ChemInform Abstract: Structure of the BH4 Radical and Its Potential Energy Surface for Rearrangement and Dissociation: An ab initio MO Study

ChemInform ◽

10.1002/chin.198907007 ◽

1989 ◽

Vol 20 (7) ◽

Author(s):

M. N. PADDON-ROW ◽

S. S. WONG

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Energy Surface ◽

Abstract Structure ◽

Ab Initio Mo

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Ab initio MO study of the potential energy surface of the HF⋯.Cl2 binary complex

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(92)87015-r ◽

1992 ◽

Vol 259 ◽

pp. 211-227 ◽

Cited By ~ 3

Author(s):

David.A. Barker ◽

Alan Hinchliffe ◽

Wagner B. De Almeida

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Energy Surface ◽

Binary Complex ◽

Ab Initio Mo

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