Thermal and photochemical interconversion of spiropyrans and merocyanines. A semi-empirical all-valence-electron study

Francesco Zerbetto; Sandra Monti; Giorgio Orlandi

doi:10.1039/f29848001513

Thermal and photochemical interconversion of spiropyrans and merocyanines. A semi-empirical all-valence-electron study

Journal of the Chemical Society Faraday Transactions 2 Molecular and Chemical Physics ◽

10.1039/f29848001513 ◽

1984 ◽

Vol 80 (12) ◽

pp. 1513 ◽

Cited By ~ 24

Author(s):

Francesco Zerbetto ◽

Sandra Monti ◽

Giorgio Orlandi

Keyword(s):

Valence Electron ◽

Electron Study ◽

Semi Empirical

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Semi-empirical Unrestricted SCF-MO Treatment for Valence Electron Systems. II. The Angular Dependence of the Methyl GrouphfsConstants

Bulletin of the Chemical Society of Japan ◽

10.1246/bcsj.43.698 ◽

1970 ◽

Vol 43 (3) ◽

pp. 698-704 ◽

Cited By ~ 9

Author(s):

Hiroshi Nakatsuji ◽

Hiroshi Kato ◽

Teijiro Yonezawa

Keyword(s):

Angular Dependence ◽

Valence Electron ◽

Electron Systems ◽

Semi Empirical

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An Improved Semi-Empirical SCF MO Method for Valence Electron Systems

Bulletin of the Chemical Society of Japan ◽

10.1246/bcsj.40.1017 ◽

1967 ◽

Vol 40 (4) ◽

pp. 1017-1017 ◽

Cited By ~ 24

Author(s):

Hiroshi Kato ◽

Hideyuki Konishi ◽

Teijiro Yonezawa

Keyword(s):

Valence Electron ◽

Electron Systems ◽

Semi Empirical

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Comparative ab initio and valence electron study of unsaturated 3-membered ring systems. Questions of conjugative and inductive group abilities, of

Tetrahedron ◽

10.1016/0040-4020(78)88021-1 ◽

1978 ◽

Vol 34 (19) ◽

pp. 2983-2993 ◽

Cited By ~ 21

Author(s):

Hans-Lothar Hase ◽

Claus Müller ◽

Armin Schweig

Keyword(s):

Ab Initio ◽

Valence Electron ◽

Membered Ring ◽

Ring Systems ◽

Electron Study

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Heats of formation and strain energies for [CH]8isomers calculated by all-valence-electron semi-empirical SCF–MO theories

Journal of the Chemical Society D Chemical Communications ◽

10.1039/c29710001408 ◽

1971 ◽

Vol 0 (21) ◽

pp. 1408-1409 ◽

Cited By ~ 8

Author(s):

Hiizu Iwamura ◽

Kazuhiko Morio ◽

Tosiyasu L. Kunii

Keyword(s):

Valence Electron ◽

Heats Of Formation ◽

Semi Empirical

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Semi-empirical all-valence-electron SCF calculations of acidities of cycloalkanes

Theoretica Chimica Acta ◽

10.1007/bf00527174 ◽

1970 ◽

Vol 17 (3) ◽

pp. 165-170 ◽

Cited By ~ 27

Author(s):

Raymond G. Jesaitis ◽

Andrew Streitwieser

Keyword(s):

Valence Electron ◽

Semi Empirical ◽

Scf Calculations

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ChemInform Abstract: STUDIES OF REACTION MECHANISMS BY ALL-VALENCE ELECTRON SEMI-EMPIRICAL SCF MO THEORIES PART 8, ELECTRONIC STRUCTURE AND VALENCE ISOMERIZATION OF SYN- AND ANTI-TRICYCLO(4,2,0,0(2,5))OCTA-3,7-DIENES

Chemischer Informationsdienst ◽

10.1002/chin.197352124 ◽

1973 ◽

Vol 4 (52) ◽

pp. no-no

Author(s):

HIIZU IWAMURA ◽

HIROSHI KIHARA ◽

KAZUHIKO MORIO ◽

TOSIYASU L. KUNII

Keyword(s):

Electronic Structure ◽

Reaction Mechanisms ◽

Valence Electron ◽

Valence Isomerization ◽

Semi Empirical

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ESCA: A new semi-empirical correlation between core-electron binding energy and valence-electron density

Chemical Physics Letters ◽

10.1016/0009-2614(71)87042-2 ◽

1971 ◽

Vol 10 (5) ◽

pp. 580-584 ◽

Cited By ~ 27

Author(s):

F.O. Ellison ◽

L.L. Larcom

Keyword(s):

Binding Energy ◽

Electron Density ◽

Valence Electron ◽

Empirical Correlation ◽

Electron Binding Energy ◽

Core Electron ◽

Valence Electron Density ◽

Semi Empirical ◽

Electron Binding

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ESCA: Semi-empirical correlation between core-electron binding energy and valence-electron density including monopole, dipole and quadrupole forces

Chemical Physics Letters ◽

10.1016/0009-2614(72)80110-6 ◽

1972 ◽

Vol 13 (4) ◽

pp. 399-405 ◽

Cited By ~ 12

Author(s):

F.O. Ellison ◽

L.L. Larcom

Keyword(s):

Binding Energy ◽

Electron Density ◽

Valence Electron ◽

Empirical Correlation ◽

Electron Binding Energy ◽

Core Electron ◽

Valence Electron Density ◽

Semi Empirical ◽

Electron Binding

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Semi-Empirical SCF MO Treatment for Valence Electron Systems. Electronic Structures of trans- and cis-Isomers of Butadiene, Acrolein, and Glyoxal

Bulletin of the Chemical Society of Japan ◽

10.1246/bcsj.40.2761 ◽

1967 ◽

Vol 40 (12) ◽

pp. 2761-2767 ◽

Cited By ~ 35

Author(s):

Hiroshi Kato ◽

Hideyuki Konishi ◽

Hiroko Yamabe ◽

Teijiro Yonezawa

Keyword(s):

Electronic Structures ◽

Valence Electron ◽

Electron Systems ◽

Semi Empirical

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Semi-Empirical SCF Molecular Orbital Treatment for Valence Electron Systems. II. Small Ionic Intermediates

Bulletin of the Chemical Society of Japan ◽

10.1246/bcsj.40.1071 ◽

1967 ◽

Vol 40 (5) ◽

pp. 1071-1076 ◽

Cited By ~ 17

Author(s):

Teijiro Yonezawa ◽

Hiroshi Kato ◽

Hideyuki Konishi

Keyword(s):

Molecular Orbital ◽

Valence Electron ◽

Electron Systems ◽

Ionic Intermediates ◽

Semi Empirical

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