Quantum-mechanical studies on the origin of barriers to internal rotation about single bonds

T. K. Brunck; F. Weinhold

doi:10.1021/ja00501a009

Quantum-mechanical studies on the origin of barriers to internal rotation about single bonds

Journal of the American Chemical Society ◽

10.1021/ja00501a009 ◽

1979 ◽

Vol 101 (7) ◽

pp. 1700-1709 ◽

Cited By ~ 227

Author(s):

T. K. Brunck ◽

F. Weinhold

Keyword(s):

Internal Rotation ◽

Quantum Mechanical ◽

Barriers To Internal Rotation ◽

Single Bonds ◽

Mechanical Studies

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ChemInform Abstract: QUANTUM-MECHANICAL STUDIES ON THE ORIGIN OF BARRIERS TO INTERNAL ROTATION ABOUT SINGLE BONDS

Chemischer Informationsdienst ◽

10.1002/chin.197927070 ◽

1979 ◽

Vol 10 (27) ◽

Author(s):

T. K. BRUNCK ◽

F. WEINHOLD

Keyword(s):

Internal Rotation ◽

Quantum Mechanical ◽

Barriers To Internal Rotation ◽

Single Bonds ◽

Mechanical Studies

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Quantum mechanical calculations on barriers to internal rotation

Theoretica Chimica Acta ◽

10.1007/bf00568790 ◽

1968 ◽

Vol 11 (4) ◽

pp. 344-357 ◽

Cited By ~ 28

Author(s):

M. -Cl. Moireau ◽

A. Veillard

Keyword(s):

Internal Rotation ◽

Quantum Mechanical ◽

Quantum Mechanical Calculations ◽

Barriers To Internal Rotation

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Erratum: Effects of Methyl and Hydroxyl Substitution on Barriers to Internal Rotation about Single Bonds

The Journal of Chemical Physics ◽

10.1063/1.1673490 ◽

1970 ◽

Vol 52 (6) ◽

pp. 3314-3314

Author(s):

John P. Lowe

Keyword(s):

Internal Rotation ◽

Barriers To Internal Rotation ◽

Single Bonds

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MNDO/AM1/PM3 quantum mechanical semiempirical and molecular mechanics barriers to internal rotation: a comparative study

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(94)03992-t ◽

1995 ◽

Vol 335 (1-3) ◽

pp. 129-139 ◽

Cited By ~ 20

Author(s):

Hélio F. Dos Santos ◽

Wagner B. De Almeida

Keyword(s):

Comparative Study ◽

Molecular Mechanics ◽

Internal Rotation ◽

Quantum Mechanical ◽

Barriers To Internal Rotation

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Barriers to Internal Rotation About Single Bonds

Progress in Physical Organic Chemistry ◽

10.1002/9780470171851.ch1 ◽

2007 ◽

pp. 1-80 ◽

Cited By ~ 110

Author(s):

John P. Lowe

Keyword(s):

Internal Rotation ◽

Barriers To Internal Rotation ◽

Single Bonds

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Effects of Methyl and Hydroxyl Substitution on Barriers to Internal Rotation about Single Bonds

The Journal of Chemical Physics ◽

10.1063/1.1672076 ◽

1969 ◽

Vol 51 (2) ◽

pp. 832-836 ◽

Cited By ~ 10

Author(s):

John P. Lowe

Keyword(s):

Internal Rotation ◽

Barriers To Internal Rotation ◽

Single Bonds

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Quantum mechanical calculations on barriers to internal rotation

Theoretica Chimica Acta ◽

10.1007/bf00527044 ◽

1966 ◽

Vol 5 (5) ◽

pp. 413-421 ◽

Cited By ~ 39

Author(s):

Alain Veillard

Keyword(s):

Internal Rotation ◽

Quantum Mechanical ◽

Quantum Mechanical Calculations ◽

Barriers To Internal Rotation

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Quantum Mechanical Studies of Charge-Transfer States in Porphyrin Heterodimers

ACS Symposium Series - Porphyrins ◽

10.1021/bk-1986-0321.ch002 ◽

1986 ◽

pp. 20-50 ◽

Cited By ~ 4

Author(s):

James D. Petke ◽

Gerald M. Maggiora

Keyword(s):

Charge Transfer ◽

Quantum Mechanical ◽

Mechanical Studies

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ChemInform Abstract: INFRARED AND RAMAN SPECTRA, VIBRATIONAL ASSIGNMENT AND BARRIERS TO INTERNAL ROTATION FOR METHYLDISILYLAMINE

Chemischer Informationsdienst ◽

10.1002/chin.197804050 ◽

1978 ◽

Vol 9 (4) ◽

Author(s):

J. R. DURIG ◽

P. J. COOPER

Keyword(s):

Internal Rotation ◽

Raman Spectra ◽

Infrared And Raman Spectra ◽

Vibrational Assignment ◽

Barriers To Internal Rotation

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The barriers to internal rotation in some chloro- and fluoro-substituted ethanes

Journal of Molecular Structure ◽

10.1016/0022-2860(70)90004-9 ◽

1970 ◽

Vol 6 (1) ◽

pp. 23-36 ◽

Cited By ~ 10

Author(s):

P.N. Brier

Keyword(s):

Internal Rotation ◽

Barriers To Internal Rotation

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