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MOLECULAR ORBITAL STUDY OF COORDINATED DIOXYGEN. VIII: DIOXYGEN ACTIVATION ON AQUA COMPLEXES OF MN, FE, CO, NI AND CUBOCA R.1983; JOURNAL OF MOLECULAR CATALYSIS; ISSN 0304-5102; CHE; DA. 1983; VOL. 18; NO 1; PP. 41-47; BIBL. 7 REF.Article

THIRD-ORDER ENERGY USING CNDO/2 AND INDO HAMILTONIAN APPROXIMATIONS IN THE MODIFIED PCILO METHODBOCA R.1979; COLLECT. CZECH. CHEM. COMMUN.; ISSN 0010-0765; CSK; DA. 1979; VOL. 44; NO 10; PP. 3041-3071; BIBL. 53 REF.Article

MOLECULAR ORBITAL STUDY OF COORDINATED DIOXYGEN. IV: DIOXYGEN ACTIVATION ON AMINE COMPLEXES OF THE FIRST ROW TRANSITION METALSBOCA R.1981; J. MOL. CATAL.; ISSN 0304-5102; CHE; DA. 1981; VOL. 10; NO 2; PP. 187-194; BIBL. 6 REF.Article

MOLECULAR ORBITAL STUDY OF COORDINATED DIOXYGEN. V: CATALYTIC OXIDATION OF TOLUENE ON COBALT-DIOXYGEN COMPLEXESBOCA R.1981; J. MOL. CATAL.; ISSN 0304-5102; CHE; DA. 1981; VOL. 12; NO 3; PP. 351-358; BIBL. 19 REF.Article

STRICTLY LOCALIZED MOLECULAR ORBITALS OF COMPOUNDS CONTAINING HALOGEN-COPPER BOND BY THE EMOA METHOD.BOCA R.1976; CHEM. ZVESTI; CESKOSL.; DA. 1976; VOL. 30; NO 1; PP. 13-20; ABS. RUSSE; BIBL. 22 REF.Article

MOLECULAR ORBITAL STUDY OF COORDINATED DIOXYGEN. III: ELECTRONIC FACTORS OF DIOXYGEN ACTIVATION ON MN, FE, CO, NI AND CU COMPLEXESBOCA R.1980; J. MOL. CATAL.; ISSN 0304-5102; CHE; DA. 1980; VOL. 9; NO 3; PP. 275-282; BIBL. 12 REF.Article

MAXIMUM OVERLAP APPROXIMATION CALCULATIONS ON POLYATOMIC MOLECULES. V. PRINCIPAL EQUATIONS OF THE EXTENDED-MAXIMUM-OVERLAP-APPROXIMATION METHODBOCA R.1980; CHEM. ZVESTI; CSK; DA. 1980; VOL. 34; NO 1; PP. 19-28; ABS. RUS; BIBL. 29 REF.Article

AN EXTENDED PCILO METHODBOCA R.1982; THEOR. CHIM. ACTA; ISSN 0040-5744; DEU; DA. 1982; VOL. 61; NO 2; PP. 179-192; BIBL. 33 REF.Article

MOLECULAR ORBITAL STUDY OF COORDINATED DIOXYGEN. I: STRUCTURE AND BONDING OF MODEL MONOMERIC CO(II) COMPLEXESBOCA R.1980; J. MOLEC. STRUCT.; NLD; DA. 1980; VOL. 65; PP. 173-183; BIBL. 38 REF.Article

DIOXYGEN ACTIVATION IN TRANSITION METAL COMPLEXES IN THE LIGHT OF MOLECULAR ORBITAL CALCULATIONSBOCA R.1983; COORDINATION CHEMISTRY REVIEWS; ISSN 0010-8545; NLD; DA. 1983; VOL. 50; NO 1; PP. 1-72; BIBL. 245 REF.Article

Inclusion of relativistic effects into ZDO methods III: A quasi-relativistic INDO/1 versionBOCA, R.International journal of quantum chemistry. 1988, Vol 34, Num 4, pp 385-399, issn 0020-7608Article

Inclusion of relativistic effects into ZDO methods. V: Effect of core and polarization functions in bonding of first-group elementsBOCA, R.International journal of quantum chemistry. 1989, Vol 36, Num 6, pp 727-739, issn 0020-7608Article

MO STUDY OF MOLECULAR NITROGEN FIXATION. IV: ACTIVATION OF BRIDGING DINITROGEN WITHIN BINUCLEAR AMINE COMPLEXES OF V, CR, MN AND FEBOCA R; PELIKAN P.1982; J. MOL. CATAL.; ISSN 0304-5102; CHE; DA. 1982; VOL. 14; NO 1; PP. 121-128; BIBL. 10 REF.Article

ADIABATIC POTENTIAL SURFACE OF THE HEXAFLUOROCUPRIC ION: CONTRIBUTION TO THE STEREOCHEMISTRY OF COPPER(II) COMPLEXESBOCA R; PELIKAN P.1981; INORG. CHEM.; ISSN 0020-1669; USA; DA. 1981; VOL. 20; NO 5; PP. 1618-1620; BIBL. 34 REF.Article

MODIFIED PCILO METHOD. II: SECOND-ORDER ENERGY AND GEOMETRY OF TRANSITION-METAL HALIDESBOCA R; PELIKAN P.1980; INT. J. QUANTUM CHEM.; ISSN 0020-7608; USA; DA. 1980; VOL. 18; NO 6; PP. 1361-1370; ABS. FRE/GER; BIBL. 22 REF.Article

Inclusion of relativistic effects into ZDO methods. II: Solvation of metal complexexsBOCA, R.International journal of quantum chemistry. 1988, Vol 33, Num 2, pp 159-167, issn 0020-7608Article

Inclusion of relativistic effects into ZDO methods. I: A quasi-relativistic CNDO/1BOCA, R.International journal of quantum chemistry. 1987, Vol 31, Num 6, pp 941-950, issn 0020-7608Article

A MODIFIED PCILO METHOD. I. SECOND-ORDER ENERGY USING CNDO/2 AND INDO HAMILTONIAN APPROXIMATIONSBOCA R; PELIKAN P.1978; THEOR. CHIM. ACTA; DEU; DA. 1978; VOL. 50; NO 1; PP. 11-19; BIBL. 27 REF.Article

Inclusion of relativistic effects into ZDO methods. VI, Stability of Jahn-Teller instability of octahedral gold and Copper complexesBOCA, R.Czechoslovak journal of physics. 1990, Vol 40, Num 6, pp 629-645, issn 0011-4626Article

MOLECULAR ORBITAL STUDY OF COORDINATED DIOXYGEN. II: DIOXYGEN ACTIVATION ON CO(II) COMPLEXESBOCA R; FELIKAN P.1980; INORG. CHIM. ACTA; ITA; DA. 1980; VOL. 44; NO 1; PP. L65-L67; BIBL. 16 REF.Article

MOLECULAR ORBITAL STUDY OF THE DITHIOCYANATE TETRAAMINE NICKEL(II) COMPLEXBOCA R; PELIKAN P.1981; J. MOL. STRUCT.; ISSN 0022-2860; NLD; DA. 1981; VOL. 86; NO 1-2; PP. 17-27; BIBL. 31 REF.Article

VALENCE ORBITAL IONIZATION POTENTIALS OF K(2)L(8)M(18)4SM4PN ATOMS AND IONS.PELIKAN P; NAGY LT; BOCA R et al.1976; MOLEC. PHYS.; G.B.; DA. 1976; VOL. 32; NO 2; PP. 587-590; BIBL. 5 REF.Article

MO STUDY OF MOLECULAR NITROGEN FIXATION. III: DINITROGEN ACTIVATION ON AMINE COMPLEXES OF TI, V, CR, MN AND FEBOCA R; PELIKAN P; HARING M et al.1981; J. MOL. CATAL.; ISSN 0304-5102; CHE; DA. 1981; VOL. 11; NO 1; PP. 41-51; BIBL. 35 REF.Article

MAXIMUM OVERLAP APPROXIMATION CALCULATIONS ON POLYATOMIC MOLECULES. III: NATURE OF THE MAXIMUM OVERLAP CRITERIONBOCA R; PELIKAN P; VALKO L et al.1979; CHEM. ZVESTI; CSK; DA. 1979; VOL. 33; NO 3; PP. 289-299; ABS. RUS; BIBL. 30 REF.Article

MAXIMUM OVERLAP APPROXIMATION CALCULATIONS ON POLYATOMIC MOLECULES. IV. SATURATED HALOALKANESBOCA R; PELIKAN P; VALKO L et al.1978; J. MOLEC. STRUCT.; NLD; DA. 1978; VOL. 50; NO 1; PP. 161-171; BIBL. 27 REF.Article

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