SUDDEN POLARIZATION IN ZWITTERIONIC EXCITED STATES OF ORGANIC INTERMEDIATES IN PHOTOCHEMICAL REACTIONS ON A POSSIBLE MECHANISM FOR BICYCLO (3.1.0) HEX-2-ENE FORMATION.BONACIC KOUTECKY V.1978; J. AMER. CHEM. SOC.; U.S.A.; DA. 1978; VOL. 100; NO 2; PP. 396-402; BIBL. 16 REF.Article

NONADIABATIC COUPLING BETWEEN LOW LYING SINGLET STATES OF GEOMETRICALLY RELAXED OLEFINES: ETHYLENE AND PROPYLENEPERSICO M; BONACIC KOUTECKY V.1982; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1982; VOL. 76; NO 12; PP. 6018-6030; BIBL. 36 REF.Article

ON A POSSIBLE MECHANISM OF THE MULTIPLE FLUORESCENCE OF P-N,N-DIMETHYLAMINOBENZONITRILE AND RELATED COMPOUNDSRETTIG W; BONACIC KOUTECKY V.1979; CHEM. PHYS. LETTERS; NLD; DA. 1979; VOL. 62; NO 1; PP. 115-120; BIBL. 27 REF.Article

GENERAL PROPERTIES OF THE HARTREE-FOCK PROBLEM DEMONSTRATED ON THE FRONTIER ORBITAL MODEL. I. RELATION AMONG VARIOUS TYPES OF EXTREMA.BONACIC KOUTECKY V; KOUTECKY J.1975; THEOR. CHIM. ACTA; ALLEM.; DA. 1975; VOL. 36; NO 3; PP. 149-161; BIBL. 30 REF.Article

ON GEOMETRIES OF FIRST TRIPLET STATES OF LINEAR POLYENES.BONACIC KOUTECKY V; SHINGO ISHIMARU.1977; J. AMER. CHEM. SOC.; U.S.A.; DA. 1977; VOL. 99; NO 25; PP. 8134-8140; BIBL. 24 REF.Article

GENERAL PROPERTIES IN THE HARTREE-FOCK PROBLEM DEMONSTRATED THE FONCTION ORBITAL MODEL. II. ANALYSIS OF THE CUSTOMARY ITERATIVE PROCEDURE.BONACIC KOUTECKY V; KOUTECKY J.1975; THEOR. CHIM. ACTA; ALLEM.; DA. 1975; VOL. 36; NO 3; PP. 163-180; BIBL. 8 REF.Article

Photochemical syn-anti isomerization of a Schiff base: a two-dimensional description of a conical intersection in formaldimineBONACIC-KOUTECKY, V.Theoretica chimica acta. 1985, Vol 68, Num 1, pp 45-55, issn 0040-5744Article

A THEORY OF FREE RADICAL REACTIONS.BONACIC KOUTECKY V; KOUTECKY J; SALEM L et al.1977; J. AMER. CHEM. SOC.; U.S.A.; DA. 1977; VOL. 99; NO 3; PP. 842-850; BIBL. 37 REF.Article

POTENTIAL ENERGY AND DIPOLE MOMENT SURFACES FOR SIMULTANEOUS TORSION AND PYRAMIDALIZATION OF ETHYLENE IN ITS LOWEST-LYING SINGLET EXCITED STATES: A CI STUDY OF THE SUDDEN POLARIZATION EFFECTBUENKER RJ; BONACIC KOUTECKY V; POGLIANI L et al.1980; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1980; VOL. 73; NO 4; PP. 1836-1849; BIBL. 21 REF.Article

USE OF CONFIGURATION SELECTION METHODS TO STUDY THE SUDDEN POLARIZATION EFFECTBONACIC KOUTECKY V; BUENKER RJ; PEYERIMHOFF SD et al.1979; J. AMER. CHEM. SOC.; USA; DA. 1979; VOL. 101; NO 20; PP. 5917-5922; BIBL. 19 REF.Article

Biradicals and biradicaloids: a unified viewMICHL, J; BONACIC-KOUTECKY, V.Tetrahedron (Oxford. Print). 1988, Vol 44, Num 24, pp 7559-7585, issn 0040-4020Article

Charge-transfer-biradical excited states: relation to anomalous fluorescence. Negative S₁-T₁ splitting in twisted aminoboraneBONACIC-KOUTECKY, V; MICHL, J.Journal of the American Chemical Society. 1985, Vol 107, Num 6, pp 1765-1766, issn 0002-7863Article

CI study of geometrical relaxation in the ground and excited singlet and triplet states of unprotonated Schiff bases: allylidenimine and formaldimineBONACIC-KOUTECKY, V; PERSICO, M.Journal of the American Chemical Society. 1983, Vol 105, Num 11, pp 3388-3395, issn 0002-7863Article

DIE C₈H₁₂-ENERGIEHYPERFLAECHE THERMOLYSE VON SYN- UND ANTI-TRICYCLO (4.2.0.0^2,5) OCTAN. EXPERIMENTELLE UND THEORETISCHE UNTERSUCHUNGEN = L'HYPERSURFACE D'ENERGIE C₈H₁₂ POUR LA PYROLYSE DES SYN- ET ANTI-TRICYCLO (4.2.0.0^2,5) OCTANE. ETUDES EXPERIMENTALE ET THEORIQUEMARTIN HD; EISENMANN E; KUNZE M et al.1980; CHEM. BER.; DEU; DA. 1980; VOL. 113; NO 3; PP. 1153-1179; ABS. ENG; BIBL. 63 REF.Article

Theoretical interpretation of the photoelectron detachment spectra of Na_2-5^- and of the absorption spectra of Na₃, Na₄, and Na₈ clustersBONACIC-KOUTECKY, V; FANTUCCI, P; KOUTECKY, J et al.The Journal of chemical physics. 1990, Vol 93, Num 6, pp 3802-3825, issn 0021-9606, 24 p.Article

Ab initio configuration-interaction study of the photoelectron spectra of small sodium cluster anionsBONACIC-KOUTECKY, V; FANTUCCI, P; KOUTECKY, J et al.The Journal of chemical physics. 1989, Vol 91, Num 6, pp 3794-3795, issn 0021-9606, 2 p.Article

Usefulness of modified virtual orbitals in multireference CI procedure illustrated by calculations on lithium clustersFANTUCCI, P; BONACIC-KOUTECKY, V; KOUTECKY, J et al.Journal of computational chemistry. 1985, Vol 6, Num 5, pp 462-468, issn 0192-8651Article

Prediction of structural and environmental effects on the S₁-S₀ energy gap and jump probability in double-bond cis-trans photoisomerization. A general ruleBONACIC-KOUTECKY, V; KÖHLER, J; MICHL, J et al.Chemical physics letters. 1984, Vol 104, Num 5, pp 440-443, issn 0009-2614Article

Emissive properties of silver particles at silver oxide surface defects : Clusters at surfaces: Electronic properties and magnetismBÜRGEL, C; MITRIC, R; BONACIC-KOUTECKY, V et al.Applied physics. A, Materials science & processing (Print). 2006, Vol 82, Num 1, pp 117-123, issn 0947-8396, 7 p.Article

Theoretical exploration of ultrafast spectroscopy of small clustersBONACIC-KOUTECKY, V; HARTMANN, M; PITTNER, J et al.The European physical journal. D, Atomic, molecular and optical physics (Print). 2001, Vol 16, Num 1-3, pp 133-138, issn 1434-6060Article

Ab initio configuration interaction study of mixed BeLi_k clusters (k=1-9)PEWESTORF, W; BONACIC-KOUTECKY, V; KOUTECKY, J et al.The Journal of chemical physics. 1988, Vol 89, Num 9, pp 5794-5802, issn 0021-9606Article

On the quenching mechanism of Na(3²P_3/2) by CO: surface-hopping trajectory calculations with ab initio CI potential energy surfacesPAPIEROWSKA-KAMINSKI, D; PERSICO, M; BONACIC-KOUTECKY, V et al.Chemical physics letters. 1985, Vol 113, Num 3, pp 264-270, issn 0009-2614Article

An ab initio configuration interaction study of the excited states of the Na₄ cluster: assignment of the absorption spectrumBONACIC-KOUTECKY, V; FANTUCCI, P; KOUTECKY, J et al.Chemical physics letters. 1990, Vol 166, Num 1, pp 32-38, issn 0009-2614, 7 p.Article

An ab initio configuration interaction investigation of the excited states of the Li₄ clusterBONACIC-KOUTECKY, V; FANTUCCI, P; KOUTECKY, J et al.Chemical physics letters. 1988, Vol 146, Num 6, pp 518-523, issn 0009-2614Article

Systemic ab initio configuration-interaction study of alkali-metal clusters. II: Relation between electronic structure and geometry of small sodium clusters = Etude d'interaction de configuration ab initio systématique d'amas de métaux alcalins. II: Relation entre la structure électronique et la géométrie de petits amas de sodiumBONACIC-KOUTECKY, V; FANTUCCI, P; KOUTECKY, J et al.Physical review. B, Condensed matter. 1988, Vol 37, Num 9, pp 4369-4374, issn 0163-1829Article