Conformational analysis of 4h-1,3,2-benzodioxaphosphorin 2-sulfides withab initio molecular orbital calculations

Yasuyuki Kurita; Chiyozo Takayama; Mitsuru Sasaki

doi:10.1002/jcc.540130504

Conformational analysis of 4h-1,3,2-benzodioxaphosphorin 2-sulfides withab initio molecular orbital calculations

Journal of Computational Chemistry ◽

10.1002/jcc.540130504 ◽

1992 ◽

Vol 13 (5) ◽

pp. 560-564

Author(s):

Yasuyuki Kurita ◽

Chiyozo Takayama ◽

Mitsuru Sasaki

Keyword(s):

Conformational Analysis ◽

Molecular Orbital ◽

Molecular Orbital Calculations

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Conformational analysis of aminovinylpyrazine by semiempirical molecular orbital calculations

Dyes and Pigments ◽

10.1016/s0143-7208(96)00036-8 ◽

1997 ◽

Vol 33 (1) ◽

pp. 33-39 ◽

Cited By ~ 3

Author(s):

Hisayoshi Shiozaki ◽

Atsushi Oshida ◽

Dongfeng Hou ◽

Masaru Matsuoka

Keyword(s):

Conformational Analysis ◽

Molecular Orbital ◽

Molecular Orbital Calculations ◽

Semiempirical Molecular Orbital

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ChemInform Abstract: CONFORMATIONAL ANALYSIS OF O-, M- AND P-CRESOL BY MOLECULAR ORBITAL CALCULATIONS

Chemischer Informationsdienst ◽

10.1002/chin.197821083 ◽

1978 ◽

Vol 9 (21) ◽

Author(s):

S. A. KUDCHADKER ◽

R. M. HEDGES ◽

B. J. ZWOLINSKI

Keyword(s):

Conformational Analysis ◽

Molecular Orbital ◽

Molecular Orbital Calculations

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Conformational Analysis of Open-Chain 1,2:3,4-Diepoxides: Comparison of crystal structures, NMR data, and molecular-orbital calculations

Helvetica Chimica Acta ◽

10.1002/hlca.19930760506 ◽

1993 ◽

Vol 76 (5) ◽

pp. 1863-1875 ◽

Cited By ~ 3

Author(s):

Daniel Bur ◽

Martin Nikles ◽

Urs Séquin ◽

Markus Neuburger ◽

Margareta Zehnder

Keyword(s):

Conformational Analysis ◽

Crystal Structures ◽

Molecular Orbital ◽

Molecular Orbital Calculations ◽

Open Chain ◽

Nmr Data

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Conformational analysis of the four 3-methyl-isopropylphenol isomers (thymols) by molecular orbital calculations and X-ray crystal structure determinations

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(81)85007-5 ◽

1981 ◽

Vol 76 (3) ◽

pp. 313-321 ◽

Cited By ~ 4

Author(s):

G. Bertholon ◽

A. Thozet ◽

M. Perrin ◽

C. Decoret

Keyword(s):

Crystal Structure ◽

Conformational Analysis ◽

Molecular Orbital ◽

Molecular Orbital Calculations ◽

X Ray ◽

Structure Determinations

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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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Conformational analysis of cis -Δ 1 , -Δ 2 , -Δ 3 and -Δ 4 -tetrahydrophthalic anhydrides by semiempirical and ab initio molecular orbital calculations

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(99)00489-3 ◽

2000 ◽

Vol 528 (1-3) ◽

pp. 219-235 ◽

Cited By ~ 3

Author(s):

A.Ben Fredj ◽

S.Ben Rejeb ◽

N. Jaı̈dane ◽

Z.Ben Lakhdar

Keyword(s):

Conformational Analysis ◽

Ab Initio ◽

Molecular Orbital ◽

Molecular Orbital Calculations

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1,4-Addition reaction with thiols and conformational analysis with PM3 molecular orbital calculations of 19-oxygenated androst-4-ene-3,6,17-triones

Steroids ◽

10.1016/0039-128x(93)90082-x ◽

1993 ◽

Vol 58 (9) ◽

pp. 423-428 ◽

Cited By ~ 9

Author(s):

Mitsuteru Numazawa ◽

Mariko Oshibe ◽

Hisao Matsuzaki

Keyword(s):

Conformational Analysis ◽

Molecular Orbital ◽

Addition Reaction ◽

Molecular Orbital Calculations

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ChemInform Abstract: Conformational Analysis of Open-Chain 1,2;3,4-Diepoxides: Comparison of Crystal Structures, NMR Data, and Molecular-Orbital Calculations.

ChemInform ◽

10.1002/chin.199347045 ◽

2010 ◽

Vol 24 (47) ◽

pp. no-no

Author(s):

D. BUR ◽

M. NIKLES ◽

U. SEQUIN ◽

M. NEUBURGER ◽

M. ZEHNDER

Keyword(s):

Conformational Analysis ◽

Crystal Structures ◽

Molecular Orbital ◽

Molecular Orbital Calculations ◽

Open Chain ◽

Nmr Data

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ChemInform Abstract: Conformational Analysis of 1,2:3,4-Diepoxides: ab initio and Semiempirical Molecular-Orbital Calculations.

ChemInform ◽

10.1002/chin.199247036 ◽

2010 ◽

Vol 23 (47) ◽

pp. no-no

Author(s):

M. NIKLES ◽

D. BUR ◽

U. SEQUIN ◽

H. HUBER

Keyword(s):

Conformational Analysis ◽

Ab Initio ◽

Molecular Orbital ◽

Molecular Orbital Calculations ◽

Semiempirical Molecular Orbital

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Conformational analysis of 2', 3' and 4'-azachalcones by molecular orbital calculations

Journal of Molecular Structure ◽

10.1016/0022-2860(81)85020-x ◽

1981 ◽

Vol 72 ◽

pp. 197-202 ◽

Cited By ~ 3

Author(s):

M. Remko ◽

J. D̆urinda ◽

J. Heger

Keyword(s):

Conformational Analysis ◽

Molecular Orbital ◽

Molecular Orbital Calculations

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