Empirical force-field-extended Hueckel molecular orbital conformational analysis of 1-phenyl-3,3-dimethylbutane

George W. Kabalka; John Jacobus

doi:10.1021/jo01294a050

Empirical force-field-extended Hueckel molecular orbital conformational analysis of 1-phenyl-3,3-dimethylbutane

The Journal of Organic Chemistry ◽

10.1021/jo01294a050 ◽

1980 ◽

Vol 45 (6) ◽

pp. 1160-1161 ◽

Cited By ~ 4

Author(s):

George W. Kabalka ◽

John Jacobus

Keyword(s):

Conformational Analysis ◽

Force Field ◽

Molecular Orbital ◽

Empirical Force Field

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ChemInform Abstract: EMPIRICAL FORCE-FIELD-EXTENDED HUECKEL MOLECULAR ORBITAL CONFORMATIONAL ANALYSIS OF 1-PHENYL-3,3-DIMETHYLBUTANE

Chemischer Informationsdienst ◽

10.1002/chin.198027069 ◽

1980 ◽

Vol 11 (27) ◽

Author(s):

G. W. KABALKA ◽

J. JACOBUS

Keyword(s):

Conformational Analysis ◽

Force Field ◽

Molecular Orbital ◽

Empirical Force Field

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ChemInform Abstract: A COMBINATION OF EMPIRICAL FORCE FIELD AND EXTENDED HUECKEL MOLECULAR ORBITAL CALCULATIONS AS A COMPUTATIONAL APPROACH TO CONFORMATIONAL ANALYSIS

Chemischer Informationsdienst ◽

10.1002/chin.197926065 ◽

1979 ◽

Vol 10 (26) ◽

Author(s):

D. A. DOUGHERTY ◽

K. MISLOW

Keyword(s):

Conformational Analysis ◽

Force Field ◽

Molecular Orbital ◽

Computational Approach ◽

Molecular Orbital Calculations ◽

Empirical Force Field

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A combination of empirical force field and extended Hueckel molecular orbital calculations as a computational approach to conformational analysis

Journal of the American Chemical Society ◽

10.1021/ja00500a008 ◽

1979 ◽

Vol 101 (6) ◽

pp. 1401-1405 ◽

Cited By ~ 31

Author(s):

Dennis A. Dougherty ◽

Kurt Mislow

Keyword(s):

Conformational Analysis ◽

Force Field ◽

Molecular Orbital ◽

Computational Approach ◽

Molecular Orbital Calculations ◽

Empirical Force Field

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Conformational analysis of bridged biphenyls and 2,2'-bipyridines. Empirical force field calculations (MM2-V4)

The Journal of Organic Chemistry ◽

10.1021/jo00296a019 ◽

1990 ◽

Vol 55 (9) ◽

pp. 2637-2644 ◽

Cited By ~ 26

Author(s):

Carlos Jaime ◽

Josep Font

Keyword(s):

Conformational Analysis ◽

Force Field ◽

Force Field Calculations ◽

Empirical Force Field ◽

Empirical Force Field Calculations

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Empirical force field (MM2 and MM3) calculations for peracetylated 1-deoxy-1-nitroheptitols and peracetylated 2-deoxyaldooctoses suggest that theoretical conformational analysis may be unreliable

Journal of Molecular Structure ◽

10.1016/0022-2860(95)08914-h ◽

1995 ◽

Vol 356 (1) ◽

pp. 35-47

Author(s):

D. Velasco ◽

C. Jaime ◽

X. Sánchez-Ruiz

Keyword(s):

Conformational Analysis ◽

Force Field ◽

Theoretical Conformational Analysis ◽

Empirical Force Field

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Empirical force field calculations. 10. Conformational analysis of cis-decalin

Journal of the American Chemical Society ◽

10.1021/ja00407a007 ◽

1981 ◽

Vol 103 (17) ◽

pp. 5014-5021 ◽

Cited By ~ 17

Author(s):

Jan M. A. Baas ◽

Bastiaan Van de Graaf ◽

Dirk Tavernier ◽

Paul Vanhee

Keyword(s):

Conformational Analysis ◽

Force Field ◽

Force Field Calculations ◽

Empirical Force Field ◽

Empirical Force Field Calculations

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Conformational analysis of chiral alkenes and oxonium ions: ab initio molecular orbital calculations and an improved MM2 force field

Journal of the American Chemical Society ◽

10.1021/ja00013a041 ◽

1991 ◽

Vol 113 (13) ◽

pp. 5006-5017 ◽

Cited By ~ 116

Author(s):

Jeffrey L. Broeker ◽

Reinhard W. Hoffmann ◽

K. N. Houk

Keyword(s):

Conformational Analysis ◽

Force Field ◽

Ab Initio ◽

Molecular Orbital ◽

Molecular Orbital Calculations ◽

Oxonium Ions

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Molecules with T symmetry. Conformational analysis of systems of type M[C(CH3)3]4 and M[Si(CH3)3]4 by the empirical force field method

Journal of the American Chemical Society ◽

10.1021/ja00475a024 ◽

1978 ◽

Vol 100 (7) ◽

pp. 2121-2126 ◽

Cited By ~ 29

Author(s):

Linda D. Iroff ◽

Kurt Mislow

Keyword(s):

Conformational Analysis ◽

Force Field ◽

Field Method ◽

Empirical Force Field

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ChemInform Abstract: EMPIRICAL FORCE FIELD CALCULATIONS. 10. CONFORMATIONAL ANALYSIS OF CIS-DECALIN

Chemischer Informationsdienst ◽

10.1002/chin.198149064 ◽

1981 ◽

Vol 12 (49) ◽

Author(s):

J. M. A. BAAS ◽

B. VAN DE GRAAF ◽

D. TAVERNIER ◽

P. VANHEE

Keyword(s):

Conformational Analysis ◽

Force Field ◽

Force Field Calculations ◽

Empirical Force Field ◽

Empirical Force Field Calculations

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ChemInform Abstract: Conformational Analysis of Chiral Alkenes and Oxonium Ions: Ab initio Molecular Orbital Calculations and an Improved MM2 Force Field

ChemInform ◽

10.1002/chin.199140037 ◽

2010 ◽

Vol 22 (40) ◽

pp. no-no

Author(s):

J. L. BROEKER ◽

R. W. HOFFMANN ◽

K. N. HOUK

Keyword(s):

Conformational Analysis ◽

Force Field ◽

Ab Initio ◽

Molecular Orbital ◽

Molecular Orbital Calculations ◽

Oxonium Ions

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