Proton transfer reactions of nucleic acid bases: A semiempirical molecular orbital study

Divi Venkateswarlu; R H Duncan Lyngdoh

doi:10.1007/bf02884440

Proton transfer reactions of nucleic acid bases: A semiempirical molecular orbital study

Journal of Chemical Sciences ◽

10.1007/bf02884440 ◽

1995 ◽

Vol 107 (3) ◽

Author(s):

Divi Venkateswarlu ◽

R H Duncan Lyngdoh

Keyword(s):

Nucleic Acid ◽

Proton Transfer ◽

Molecular Orbital ◽

Transfer Reactions ◽

Nucleic Acid Bases ◽

Molecular Orbital Study ◽

Orbital Study ◽

Proton Transfer Reactions ◽

Semiempirical Molecular Orbital

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An ab initio molecular orbital study on the stacking interaction between nucleic acid bases: Dependence on the sequence and relation to the conformation

International Journal of Quantum Chemistry ◽

10.1002/qua.560290522 ◽

1986 ◽

Vol 29 (5) ◽

pp. 1253-1261 ◽

Cited By ~ 30

Author(s):

Misako Aida ◽

Chikayoshi Nagata

Keyword(s):

Nucleic Acid ◽

Ab Initio ◽

Molecular Orbital ◽

Nucleic Acid Bases ◽

Stacking Interaction ◽

Molecular Orbital Study ◽

Orbital Study

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An MNDO molecular orbital study of the reactions of protonated oxirane derivatives (XCHCH2OH+, X = CN, Cl, CH3, Ph) with simple nucleophiles. Implications for regioselectivity in the reactions of electrophiles with nucleic acid bases

Journal of Computational Chemistry ◽

10.1002/jcc.540100413 ◽

1989 ◽

Vol 10 (4) ◽

pp. 568-592 ◽

Cited By ~ 6

Author(s):

George P. Ford ◽

Christopher T. Smith

Keyword(s):

Nucleic Acid ◽

Molecular Orbital ◽

Nucleic Acid Bases ◽

Molecular Orbital Study ◽

Orbital Study

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Ab initio molecular orbital study on the pairing and stacking interactions between nucleic acid bases in relation to the biological activities

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(88)80141-6 ◽

1988 ◽

Vol 179 (1) ◽

pp. 451-466 ◽

Cited By ~ 16

Author(s):

Chikayoshi Nagata ◽

Misako Aida

Keyword(s):

Nucleic Acid ◽

Ab Initio ◽

Molecular Orbital ◽

Biological Activities ◽

Stacking Interactions ◽

Nucleic Acid Bases ◽

Molecular Orbital Study ◽

Orbital Study

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AN EXTENDED SEMI-EMPIRICAL MOLECULAR ORBITAL STUDY OF THE * EXCITED STATES OF NUCLEIC ACID BASES

Photochemistry and Photobiology ◽

10.1111/j.1751-1097.1986.tb04670.x ◽

1986 ◽

Vol 44 (3) ◽

pp. 315-322 ◽

Cited By ~ 27

Author(s):

Patrik R. Callis

Keyword(s):

Nucleic Acid ◽

Molecular Orbital ◽

Excited States ◽

Nucleic Acid Bases ◽

Molecular Orbital Study ◽

Orbital Study ◽

Semi Empirical

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Molecular orbital study of proton transfer energetics in the active site of papain by using methanethiol-imidazole-formic acid complex as a model.

Chemical and Pharmaceutical Bulletin ◽

10.1248/cpb.29.918 ◽

1981 ◽

Vol 29 (4) ◽

pp. 918-925 ◽

Cited By ~ 2

Author(s):

HIDEAKI UMEYAMA ◽

SETSUKO NAKAGAWA

Keyword(s):

Proton Transfer ◽

Formic Acid ◽

Molecular Orbital ◽

Active Site ◽

Acid Complex ◽

Transfer Energetics ◽

Molecular Orbital Study ◽

Orbital Study

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MNDO, AM1 and PM3 semiempirical molecular orbital study of 1-fluorosilatrane

Journal of Organometallic Chemistry ◽

10.1016/0022-328x(93)80040-i ◽

1993 ◽

Vol 446 (1-2) ◽

pp. 99-106 ◽

Cited By ~ 15

Author(s):

G.I. Csonka ◽

P. Hencsei

Keyword(s):

Molecular Orbital ◽

Molecular Orbital Study ◽

Orbital Study ◽

Semiempirical Molecular Orbital

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Crystal structures of two cobalt complexes with tetrahedrally distorted trigonal bipyramidal co-ordination and semiempirical molecular orbital study of the distortion

Journal of the Chemical Society Dalton Transactions ◽

10.1039/dt9750001575 ◽

1975 ◽

pp. 1575 ◽

Cited By ~ 9

Author(s):

Massimo Di Vaira

Keyword(s):

Crystal Structures ◽

Molecular Orbital ◽

Cobalt Complexes ◽

Trigonal Bipyramidal ◽

Molecular Orbital Study ◽

Orbital Study ◽

Distorted Trigonal Bipyramidal ◽

Semiempirical Molecular Orbital

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Conformational analysis of the antiinflammatory fenamates: a molecular mechanics and semiempirical molecular orbital study

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(94)04003-b ◽

1995 ◽

Vol 335 (1-3) ◽

pp. 215-227 ◽

Cited By ~ 15

Author(s):

Juan José Lozano ◽

Ramon Pouplana ◽

Manuel López ◽

Juan Ruiz

Keyword(s):

Conformational Analysis ◽

Molecular Mechanics ◽

Molecular Orbital ◽

Molecular Orbital Study ◽

Orbital Study ◽

Semiempirical Molecular Orbital

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ChemInform Abstract: Diels-Alder Reactions of Acyclic 2-Azadienes: A Semiempirical Molecular Orbital Study.

ChemInform ◽

10.1002/chin.199850042 ◽

2010 ◽

Vol 29 (50) ◽

pp. no-no

Author(s):

T. M. V. D. PINHO E MELO ◽

R. FAUSTO ◽

A. M. D'A. ROCHA GONSALVES ◽

T. L. GILCHRIST

Keyword(s):

Molecular Orbital ◽

Diels Alder ◽

Molecular Orbital Study ◽

Orbital Study ◽

Semiempirical Molecular Orbital

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ChemInform Abstract: A Semiempirical Molecular Orbital Study of Transition Metals Maleonitriledithiolate Redox Series (CNDO- und IEHM-Betrachtungen zur Untersuchung der Elektronenstruktur der Komplexe (I)).

Chemischer Informationsdienst ◽

10.1002/chin.198225048 ◽

1982 ◽

Vol 13 (25) ◽

Author(s):

S. ZALIS ◽

A. A. VLCEK

Keyword(s):

Transition Metals ◽

Molecular Orbital ◽

Molecular Orbital Study ◽

Orbital Study ◽

Semiempirical Molecular Orbital

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