AAAAAA

   
Results: 1-25 | 26-37
Results: 1-25/37
ON THE PHYSICAL MEANING OF BOND INDEXES FROM THE POPULATION ANALYSIS OF HIGHER-ORDER DENSITIES
Authors: BOCHICCHIO RC PONEC R LAIN L TORRE A
Citation: Rc. Bochicchio et al., ON THE PHYSICAL MEANING OF BOND INDEXES FROM THE POPULATION ANALYSIS OF HIGHER-ORDER DENSITIES, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(36), 1998, pp. 7176-7180
ELECTRON PAIRING AND CHEMICAL-BONDS - MOLECULAR-STRUCTURE FROM THE ANALYSIS OF PAIR DENSITIES AND RELATED QUANTITIES
Authors: PONEC R
Citation: R. Ponec, ELECTRON PAIRING AND CHEMICAL-BONDS - MOLECULAR-STRUCTURE FROM THE ANALYSIS OF PAIR DENSITIES AND RELATED QUANTITIES, Journal of mathematical chemistry, 23(1-2), 1998, pp. 85-103
MOLECULAR QUANTUM SIMILARITY MEASURES AS AN ALTERNATIVE TO LOG-P VALUES IN QSAR STUDIES
Authors: AMAT L CARBODORCA R PONEC R
Citation: L. Amat et al., MOLECULAR QUANTUM SIMILARITY MEASURES AS AN ALTERNATIVE TO LOG-P VALUES IN QSAR STUDIES, Journal of computational chemistry, 19(14), 1998, pp. 1575-1583
ELECTRON PAIRING AND CHEMICAL-BONDS - CHEMICAL-BONDS FROM THE CONDITION OF MINIMUM FLUCTUATION OF ELECTRON-PAIR
Authors: PONEC R
Citation: R. Ponec, ELECTRON PAIRING AND CHEMICAL-BONDS - CHEMICAL-BONDS FROM THE CONDITION OF MINIMUM FLUCTUATION OF ELECTRON-PAIR, International journal of quantum chemistry, 69(2), 1998, pp. 193-200
SIMILARITY APPROACH TO CHEMICAL-REACTIVITY - SPIN RECOUPLING IN CHEMICAL-REACTIONS
Authors: PONEC R
Citation: R. Ponec, SIMILARITY APPROACH TO CHEMICAL-REACTIVITY - SPIN RECOUPLING IN CHEMICAL-REACTIONS, Croatica chemica acta, 71(3), 1998, pp. 501-510
INVESTIGATION OF SOME PROPERTIES OF MULTICENTER BOND INDEXES
Authors: PONEC R MAYER I
Citation: R. Ponec et I. Mayer, INVESTIGATION OF SOME PROPERTIES OF MULTICENTER BOND INDEXES, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(9), 1997, pp. 1738-1741
ELECTRON PAIRING AND CHEMICAL-BONDS - CHEMICAL-STRUCTURE, VALENCES AND STRUCTURAL SIMILARITIES FROM THE ANALYSIS OF THE FERMI HOLES
Authors: PONEC R
Citation: R. Ponec, ELECTRON PAIRING AND CHEMICAL-BONDS - CHEMICAL-STRUCTURE, VALENCES AND STRUCTURAL SIMILARITIES FROM THE ANALYSIS OF THE FERMI HOLES, Journal of mathematical chemistry, 21(3), 1997, pp. 323-333
ELECTRON PAIRING AND CHEMICAL-BONDS - ON THE ACCURACY OF THE ELECTRON-PAIR MODEL OF CHEMICAL-BOND
Authors: PONEC R UHLIK F
Citation: R. Ponec et F. Uhlik, ELECTRON PAIRING AND CHEMICAL-BONDS - ON THE ACCURACY OF THE ELECTRON-PAIR MODEL OF CHEMICAL-BOND, Journal of molecular structure. Theochem, 391(1-2), 1997, pp. 159-168
SIMILARITY APPROACH TO CHEMICAL-REACTIVITY - REGIOSELECTIVITY IN PERICYCLIC-REACTIONS
Authors: PONEC R
Citation: R. Ponec, SIMILARITY APPROACH TO CHEMICAL-REACTIVITY - REGIOSELECTIVITY IN PERICYCLIC-REACTIONS, Journal of chemical information and computer sciences, 37(4), 1997, pp. 745-751
THEORETICAL-ANALYSIS OF THE STEREOSELECTIVITY IN THE OZONOLYSIS OF OLEFINS - EVIDENCE FOR A MODIFIED CRIEGEE MECHANISM
Authors: PONEC R YUZHAKOV G HAAS Y SAMUNI U
Citation: R. Ponec et al., THEORETICAL-ANALYSIS OF THE STEREOSELECTIVITY IN THE OZONOLYSIS OF OLEFINS - EVIDENCE FOR A MODIFIED CRIEGEE MECHANISM, Journal of organic chemistry, 62(9), 1997, pp. 2757-2762
ELECTRON REORGANIZATION IN CHEMICAL-REACTIONS - PAIR POPULATION ANALYSIS ALONG CONCERTED REACTION-PATH OF ALLOWED AND FORBIDDEN PERICYCLIC-REACTIONS
Authors: PONEC R
Citation: R. Ponec, ELECTRON REORGANIZATION IN CHEMICAL-REACTIONS - PAIR POPULATION ANALYSIS ALONG CONCERTED REACTION-PATH OF ALLOWED AND FORBIDDEN PERICYCLIC-REACTIONS, International journal of quantum chemistry, 62(2), 1997, pp. 171-176
AB-INITIO SCF NONLINEAR PAIR POPULATION ANALYSIS - A NEW MEANS OF DETECTION AND LOCALIZATION OF MULTICENTER BONDING
Authors: BOCHICCHIO RC PONEC R UHLIK F
Citation: Rc. Bochicchio et al., AB-INITIO SCF NONLINEAR PAIR POPULATION ANALYSIS - A NEW MEANS OF DETECTION AND LOCALIZATION OF MULTICENTER BONDING, Inorganic chemistry, 36(23), 1997, pp. 5363-5368
ELECTRON PAIRING AND CHEMICAL-BONDS - ANATOMY OF BOND FORMATION
Authors: PONEC R
Citation: R. Ponec, ELECTRON PAIRING AND CHEMICAL-BONDS - ANATOMY OF BOND FORMATION, Croatica chemica acta, 70(3), 1997, pp. 745-756
ELECTRON REORGANIZATION IN CHEMICAL-REACTIONS - BOND ORDER CONSERVATION VS MULTICENTER BONDING IN THE COURSE OF CHEMICAL-REACTIONS
Authors: PONEC R
Citation: R. Ponec, ELECTRON REORGANIZATION IN CHEMICAL-REACTIONS - BOND ORDER CONSERVATION VS MULTICENTER BONDING IN THE COURSE OF CHEMICAL-REACTIONS, Collection of Czechoslovak Chemical Communications, 62(12), 1997, pp. 1821-1831
SIMILARITY APPROACH TO CHEMICAL-REACTIVITY - TORQUOSELECTIVITY IN PERICYCLIC-REACTIONS
Authors: PONEC R YUZHAKOV G PECKA J
Citation: R. Ponec et al., SIMILARITY APPROACH TO CHEMICAL-REACTIVITY - TORQUOSELECTIVITY IN PERICYCLIC-REACTIONS, Journal of mathematical chemistry, 20(3-4), 1996, pp. 301-310
SIMILARITY APPROACH TO CHEMICAL-REACTIVITY - THEORETICAL JUSTIFICATION OF THE HAMMOND POSTULATE
Authors: PONEC R YUZHAKOV G PECKA J
Citation: R. Ponec et al., SIMILARITY APPROACH TO CHEMICAL-REACTIVITY - THEORETICAL JUSTIFICATION OF THE HAMMOND POSTULATE, Journal of mathematical chemistry, 19(3-4), 1996, pp. 265-270
SIMILARITY APPROACH TO CHEMICAL-REACTIVITY - OVERLAP DETERMINANT METHOD IN THE CHEMISTRY OF COMPLEX-REACTIONS WITH COARCTATE TRANSITION-STATES
Authors: PONEC R
Citation: R. Ponec, SIMILARITY APPROACH TO CHEMICAL-REACTIVITY - OVERLAP DETERMINANT METHOD IN THE CHEMISTRY OF COMPLEX-REACTIONS WITH COARCTATE TRANSITION-STATES, Journal of chemical information and computer sciences, 36(3), 1996, pp. 554-558
ON THE DEFINITION OF VALENCE OF FUNCTIONAL-GROUPS IN MOLECULES
Authors: PONEC R KRACK M JUG K
Citation: R. Ponec et al., ON THE DEFINITION OF VALENCE OF FUNCTIONAL-GROUPS IN MOLECULES, Theoretica Chimica Acta, 93(3), 1996, pp. 165-176
POPULATION ANALYSIS OF PAIR DENSITIES - A NEW WAY OF VISUALIZATION OFMOLECULAR-STRUCTURE
Authors: PONEC R JUG K
Citation: R. Ponec et K. Jug, POPULATION ANALYSIS OF PAIR DENSITIES - A NEW WAY OF VISUALIZATION OFMOLECULAR-STRUCTURE, International journal of quantum chemistry, 60(1), 1996, pp. 75-82
PAIR POPULATIONS AND EFFECTIVE VALENCIES FROM AB-INITIO SCF AND SPIN-COUPLED WAVE-FUNCTIONS
Authors: COOPER DL PONEC R THORSTEINSSON T RAOS G
Citation: Dl. Cooper et al., PAIR POPULATIONS AND EFFECTIVE VALENCIES FROM AB-INITIO SCF AND SPIN-COUPLED WAVE-FUNCTIONS, International journal of quantum chemistry, 57(3), 1996, pp. 501-518
ON THE DEFINITIONS OF BOND INDEX AND VALENCE FOR CORRELATED WAVE-FUNCTIONS
Authors: PONEC R UHLIK F COOPER DL JUG K
Citation: R. Ponec et al., ON THE DEFINITIONS OF BOND INDEX AND VALENCE FOR CORRELATED WAVE-FUNCTIONS, Croatica chemica acta, 69(3), 1996, pp. 933-940
MULTICENTER BOND INDEXES FROM THE GENERALIZED POPULATION ANALYSIS OF HIGHER-ORDER DENSITIES
Authors: PONEC R UHLIK F
Citation: R. Ponec et F. Uhlik, MULTICENTER BOND INDEXES FROM THE GENERALIZED POPULATION ANALYSIS OF HIGHER-ORDER DENSITIES, Croatica chemica acta, 69(3), 1996, pp. 941-954
NONLINEAR POPULATION ANALYSIS FROM GEMINAL EXPANSION OF PAIR DENSITIES
Authors: PONEC R BOCHICCHIO RC
Citation: R. Ponec et Rc. Bochicchio, NONLINEAR POPULATION ANALYSIS FROM GEMINAL EXPANSION OF PAIR DENSITIES, International journal of quantum chemistry, 54(2), 1995, pp. 99-105
POPULATION ANALYSIS OF PAIR DENSITIES - A STUDY OF BASSIS SET DEPENDENCE
Authors: PONEC R UHLIK F COOPER DL
Citation: R. Ponec et al., POPULATION ANALYSIS OF PAIR DENSITIES - A STUDY OF BASSIS SET DEPENDENCE, Croatica chemica acta, 68(1), 1995, pp. 149-155
ON THE ROLE OF FERMI AND COULOMB CORRELATION IN PERICYCLIC-REACTIONS
Authors: PONEC R STRNAD M
Citation: R. Ponec et M. Strnad, ON THE ROLE OF FERMI AND COULOMB CORRELATION IN PERICYCLIC-REACTIONS, Chemicke zvesti, 48(2), 1994, pp. 72-78
Risultati: 1-25 | 26-37