Geometric structure and energetics of small strained hydrocarbons involving an exo double bond: a combined semiempirical and ab initio study

M. Eckert-Maksic; Z. B. Maksic; A. Skancke; P. N. Skancke

doi:10.1021/j100295a028

Geometric structure and energetics of small strained hydrocarbons involving an exo double bond: a combined semiempirical and ab initio study

The Journal of Physical Chemistry ◽

10.1021/j100295a028 ◽

1987 ◽

Vol 91 (11) ◽

pp. 2786-2790 ◽

Cited By ~ 16

Author(s):

M. Eckert-Maksic ◽

Z. B. Maksic ◽

A. Skancke ◽

P. N. Skancke

Keyword(s):

Double Bond ◽

Ab Initio ◽

Geometric Structure ◽

Ab Initio Study

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ChemInform Abstract: Geometric Structure and Energetics of Small Strained Hydrocarbons Involving an Exo Double Bond. A Combined Semiempirical and ab initio Study.

ChemInform ◽

10.1002/chin.198738053 ◽

1987 ◽

Vol 18 (38) ◽

Author(s):

M. ECKERT-MAKSIC ◽

Z. B. MAKSIC ◽

A. SKANCKE ◽

P. N. SKANCKE

Keyword(s):

Double Bond ◽

Ab Initio ◽

Geometric Structure ◽

Ab Initio Study

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An ab initio study of a germanium-germanium double bond in digermene

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(83)85007-6 ◽

1983 ◽

Vol 103 ◽

pp. 35-44 ◽

Cited By ~ 27

Author(s):

S. Nagase ◽

T. Kudo

Keyword(s):

Double Bond ◽

Ab Initio ◽

Ab Initio Study

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1,3-Dipolar Addition of Phenylazide to the Carbon−Carbon Double Bond: An ab Initio Study

The Journal of Physical Chemistry A ◽

10.1021/jp9839403 ◽

1999 ◽

Vol 103 (9) ◽

pp. 1276-1282 ◽

Cited By ~ 14

Author(s):

Jasna J. Klicić ◽

Richard A. Friesner

Keyword(s):

Double Bond ◽

Ab Initio ◽

Ab Initio Study ◽

Carbon Double Bond

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An ab initio study on HXC(double bond)O ? HY molecular complexes (X, Y = F, Cl)

International Journal of Quantum Chemistry ◽

10.1002/(sici)1097-461x(1996)57:4<757::aid-qua23>3.0.co;2-w ◽

1996 ◽

Vol 57 (4) ◽

pp. 757-766 ◽

Cited By ~ 3

Author(s):

Andrzej Nowek ◽

Jerzy Leszczy?ski

Keyword(s):

Double Bond ◽

Ab Initio ◽

Molecular Complexes ◽

Ab Initio Study

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An ab initio study of the p,π interaction: III. Interaction of an ether oxygen atom with a double bond

Russian Journal of General Chemistry ◽

10.1134/s107036320606020x ◽

2006 ◽

Vol 76 (6) ◽

pp. 966-969 ◽

Cited By ~ 2

Author(s):

V. P. Feshin ◽

E. V. Feshina

Keyword(s):

Double Bond ◽

Oxygen Atom ◽

Ab Initio ◽

Ab Initio Study ◽

Ether Oxygen Atom ◽

Ether Oxygen

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Geometric Structure and Torsional Potential of Biisothianaphthene. A Comparative DFT and ab Initio Study

Journal of the American Chemical Society ◽

10.1021/ja961586l ◽

1997 ◽

Vol 119 (6) ◽

pp. 1360-1369 ◽

Cited By ~ 51

Author(s):

Pedro M. Viruela ◽

Rafael Viruela ◽

Enrique Ortí ◽

Jean-Luc Brédas

Keyword(s):

Ab Initio ◽

Geometric Structure ◽

Ab Initio Study ◽

Torsional Potential

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On the geometric structure and vibrational frequencies of o-benzyne. An ab initio study including electron correlation

Journal of the Chemical Society Perkin Transactions 2 ◽

10.1039/p29870000117 ◽

1987 ◽

pp. 117 ◽

Cited By ~ 9

Author(s):

Keith Rigby ◽

Ian H. Hillier ◽

Mark Vincent

Keyword(s):

Ab Initio ◽

Electron Correlation ◽

Geometric Structure ◽

Vibrational Frequencies ◽

Ab Initio Study

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An AB Initio Study of the Electronic and Geometric Structure of BIS-of Dipivaloylmethane With Manganese, IRON, and Cobalt

Journal of Structural Chemistry ◽

10.1007/s10947-010-0092-1 ◽

2010 ◽

Vol 51 (4) ◽

pp. 622-634 ◽

Cited By ~ 4

Author(s):

V. V. Sliznev ◽

N. V. Belova ◽

G. V. Girichev

Keyword(s):

Ab Initio ◽

Geometric Structure ◽

Ab Initio Study

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ChemInform Abstract: Geometric Structure and Vibrational Frequencies of o-Benzyne. An ab initio Study Including Electron Correlation.

ChemInform ◽

10.1002/chin.198724052 ◽

1987 ◽

Vol 18 (24) ◽

Author(s):

K. RIGBY ◽

I. H. HILLIER ◽

M. VINCENT

Keyword(s):

Ab Initio ◽

Electron Correlation ◽

Geometric Structure ◽

Vibrational Frequencies ◽

Ab Initio Study

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Sulfur Versus Oxygen in Interaction with the Double Bond: AB Initio Study of Electronic Structure and Prototropic Rearrangement of 1-Methoxy-2-propene and 1-Methylthio-2-propene

Phosphorus Sulfur and Silicon and the Related Elements ◽

10.1080/10426500214896 ◽

2002 ◽

Vol 177 (12) ◽

pp. 2931-2940 ◽

Cited By ~ 2

Author(s):

Vladimir B. Kobychev ◽

Nadezhda M. Vitkovskaya ◽

Elena Yu. Larionova ◽

Boris A. Trofimov

Keyword(s):

Electronic Structure ◽

Double Bond ◽

Ab Initio ◽

Ab Initio Study ◽

Prototropic Rearrangement

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