Ab initio molecular orbital study of potential energy surface for the reaction of C2H3 with H2 and related reactions

Alexander M. Mebel; Keiji Morokuma; M. C. Lin

doi:10.1063/1.470715

Ab initio molecular orbital study of potential energy surface for the reaction of C2H3 with H2 and related reactions

The Journal of Chemical Physics ◽

10.1063/1.470715 ◽

1995 ◽

Vol 103 (9) ◽

pp. 3440-3449 ◽

Cited By ~ 34

Author(s):

Alexander M. Mebel ◽

Keiji Morokuma ◽

M. C. Lin

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Molecular Orbital ◽

Energy Surface ◽

Molecular Orbital Study ◽

Orbital Study

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Potential energy surface for the C 2 H 4 +Cl 2 →C 2 H 4 Cl+Cl reaction: ab initio molecular orbital study

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(01)00411-0 ◽

2001 ◽

Vol 545 (1-3) ◽

pp. 225-232 ◽

Cited By ~ 1

Author(s):

Yuzuru Kurosaki

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Molecular Orbital ◽

Energy Surface ◽

Molecular Orbital Study ◽

Orbital Study

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Ab initio molecular orbital study of potential energy surface for the H2NO(2B1)→NO(2Π)+H2 reaction

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(99)00370-x ◽

2000 ◽

Vol 507 (1-3) ◽

pp. 119-126 ◽

Cited By ~ 5

Author(s):

Yuzuru Kurosaki ◽

Toshiyuki Takayanagi

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Molecular Orbital ◽

Energy Surface ◽

Molecular Orbital Study ◽

Orbital Study

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An ab initio molecular orbital study of the C3H+ potential energy surface

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(89)85107-3 ◽

1989 ◽

Vol 184 (3-4) ◽

pp. 391-397 ◽

Cited By ~ 2

Author(s):

Jon Baker ◽

Siu-Cheuk Chan ◽

Kam-Yuen Wu ◽

Wai-Kee Li

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Molecular Orbital ◽

Energy Surface ◽

Molecular Orbital Study ◽

Orbital Study

Download Full-text

ChemInform Abstract: An ab initio Molecular Orbital Study of the GaH4 Potential Energy Surface.

ChemInform ◽

10.1002/chin.199344003 ◽

2010 ◽

Vol 24 (44) ◽

pp. no-no

Author(s):

Y.-S. CHEUNG ◽

N. L. MA ◽

W.-K. LI

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Molecular Orbital ◽

Energy Surface ◽

Molecular Orbital Study ◽

Orbital Study

Download Full-text

An ab initio molecular orbital study of the potential energy surface of the N2H → N2 + H system

Chemical Physics Letters ◽

10.1016/0009-2614(84)85272-0 ◽

1984 ◽

Vol 103 (6) ◽

pp. 437-442 ◽

Cited By ~ 53

Author(s):

Larry A. Curtiss ◽

David L. Drapcho ◽

John A. Pople

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Molecular Orbital ◽

Energy Surface ◽

Molecular Orbital Study ◽

Orbital Study

Download Full-text

An ab initio molecular orbital study of the C3H+3 potential energy surface

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(92)87190-b ◽

1992 ◽

Vol 257 (1-2) ◽

pp. 189-204 ◽

Cited By ~ 14

Author(s):

Wai-Kee Li ◽

Noel V. Riggs

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Molecular Orbital ◽

Energy Surface ◽

Molecular Orbital Study ◽

Orbital Study

Download Full-text

An ab initio molecular orbital study of the potential energy surface of the HO2+NO reaction

The Journal of Chemical Physics ◽

10.1063/1.474537 ◽

1997 ◽

Vol 107 (6) ◽

pp. 1872-1880 ◽

Cited By ~ 30

Author(s):

R. Sumathi ◽

S. D. Peyerimhoff

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Molecular Orbital ◽

Energy Surface ◽

Molecular Orbital Study ◽

Orbital Study

Download Full-text

ChemInform Abstract: An ab initio Molecular Orbital Study of the Potential Energy Surface for the Orthosilicate Anion, (H3SiO4)-

ChemInform ◽

10.1002/chin.199239001 ◽

2010 ◽

Vol 23 (39) ◽

pp. no-no

Author(s):

W. B. DE ALMEIDA ◽

P. J. O'MALLEY

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Molecular Orbital ◽

Energy Surface ◽

Molecular Orbital Study ◽

Orbital Study

Download Full-text

An ab initio molecular orbital study of potential energy surface of the NH2+NO2 reaction

The Journal of Chemical Physics ◽

10.1063/1.470546 ◽

1995 ◽

Vol 103 (13) ◽

pp. 5640-5649 ◽

Cited By ~ 20

Author(s):

A. M. Mebel ◽

C.‐C. Hsu ◽

M. C. Lin ◽

K. Morokuma

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Molecular Orbital ◽

Energy Surface ◽

Molecular Orbital Study ◽

Orbital Study

Download Full-text

An ab initio molecular orbital study of the potential energy surface for the orthosilicate anion, [H3SiO4]−

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(92)85077-x ◽

1992 ◽

Vol 258 (3-4) ◽

pp. 379-387 ◽

Cited By ~ 3

Author(s):

Wagner B. De Almeida ◽

Patrick J. O'Malley

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Molecular Orbital ◽

Energy Surface ◽

Molecular Orbital Study ◽

Orbital Study

Download Full-text