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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 27, 1974 - Issue 3
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Original Articles

Ab initio SCF CI study of the electronic spectra of nitroethylene

Tae-Kyu Ha Physical Chemistry Laboratory, Swiss Federal Institute of Technology, Zurich, Switzerland
Pages 753-761 | Received 19 Jul 1973, Published online: 22 Aug 2006

Citations (15)

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Read on this site (1)

Tae-Kyu Ha. (1975) Ab initio SCF CI study of the electronic spectrum of s-tetrazine. Molecular Physics 29:6, pages 1829-1846.
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Articles from other publishers (14)

Itamar BorgesJr.Jr., Adélia J. A. Aquino & Hans Lischka. (2014) A Multireference Configuration Interaction Study of the Photodynamics of Nitroethylene. The Journal of Physical Chemistry A 118:51, pages 12011-12020.
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Itamar BorgesJr.Jr., Mario Barbatti, Adélia J.A. Aquino & Hans Lischka. (2012) Electronic spectra of nitroethylene. International Journal of Quantum Chemistry 112:4, pages 1225-1232.
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Giuliano Alagona & Jacopo Tomasi. (1983) The mechanism of addition to a CN triple bond. An ab initio study of the first stages of the stephen, gatterman and Houben—Hoesch reactions. Journal of Molecular Structure: THEOCHEM 91:3-4, pages 263-281.
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Giuliano Alagona & Jacopo Tomasi. (1982) The mechanism of addition to a CN triple bond. An ab initio study of the first stages of the Stephen, Gatterman and Houben-Hoesch reactions. Journal of Molecular Structure 91, pages 263-281.
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ROBERT S. MULLIKEN & WALTER C. ERMLER. 1981. Polyatomic Molecules. Polyatomic Molecules 253 311 .
Karl-Heinz Thunemann, Robert J. Buenker & Werner Butscher. (1980) Configuration interaction study of the electronic spectrum of furan. Chemical Physics 47:3, pages 313-320.
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A. Le Beuze, A. Botrel, P. Appriou & R. Guglielmetti. (1979) Etude theorique (cndo/s) des etats excites et des transitions electroniques de 2h-chromenes representant la partie responsable de l'ouverture photochimique de spiropyrannes. Tetrahedron 35:1, pages 31-42.
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Tae-Kyu Ha. (1978) On the lower excited electronic states of biacetyl. Chemical Physics Letters 57:1, pages 64-70.
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Tae -Kyu Ha. (1977) Ab initio SCF and CI study of the electronic spectrum of pyridine N-oxide. Theoretica Chimica Acta 43:4, pages 337-349.
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Tae-Kyu Ha. (1976) Ab initio scf and ci study of the electronic structure of BH3CO. Journal of Molecular Structure 30:1, pages 103-111.
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Tae-Kyu Ha. (1976) Calculation of nuclear quadrupole coupling constants in pyrazole and imidazole from ab initio wavefunctions. Chemical Physics Letters 37:2, pages 315-318.
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Tae-Kyu Ha & LXXX. Keller. (1975) Ab initio SCF and CI study of the electronic structure and the n → π* excitation of CHoCHO, NH2CHO, HOCHO and FCHO. Journal of Molecular Structure 27:2, pages 225-232.
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W. Runge, W. Kosbahn & J. Winkler. (2010) Molekülstruktur von Allenen und Ketenen III [1] Circulardichroismusspektroskopische, absorptionsspektroskopische und CNDO/S‐Untersuchungen an Alkylallencarbonsäuren. Berichte der Bunsengesellschaft für physikalische Chemie 79:4, pages 381-389.
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Tae-Kyu Ha & Urs P. Wild. (1974) Ab initio SCF CL study of the electronic spectrum of nitroso-methane. Chemical Physics 4:2, pages 300-306.
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