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. 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

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. 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

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)4S^M4P^N 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

MOLECULAR ORBITAL STUDY OF M(SACACEN) COMPLEXESBOCA R; PELIKAN P; SIMA J et al.1980; CHEM. ZVESTI; CSK; DA. 1980; VOL. 34; NO 3; PP. 302-309; ABS. RUS; BIBL. 23 REF.Article

A MOLECULAR ORBITAL STUDY OF THE ELECTRONIC STRUCTURE AND STEREOCHEMISTRY OF DITHIOCYANATE DIAMINE AND DICYANATE DIAMINE CUPRIC COMPLEXESBENCO L; BOCA R; LISKA M et al.1980; J. MOLEC. STRUCT.; NLD; DA. 1980; VOL. 62; PP. 219-228; BIBL. 14 REF.Article

VALENCE ORBITAL IONIZATION POTENTIALS OF K(2) L(8) M(18) 4S²4P⁶4D⁶4D^ALPHA 5S^BETA 5P^GAMMA ATOMS AND IONSPELIKAN P; TURINAGY L; LISKA M et al.1978; CHEM. ZVESTI; CSK; DA. 1978; VOL. 32; NO 3; PP. 307-313; ABS. RUS; BIBL. 8 REF.Article

MAXIMUM OVERLAP APPROXIMATION CALCULATIONS ON POLYATOMIC MOLECULES. II. CALCULATIONS OF DIPOLE MOMENTS, CHARGE DISTRIBUTIONS AND CARBON 13-PROTON COUPLING CONSTANTS.MIERTUS S; BOCA R; PELIKAN P et al.1975; CHEM. PHYS.; NETHERL.; DA. 1975; VOL. 11; NO 2; PP. 237-241; BIBL. 34 REF.Article

MO study of molecular nitrogen fixation. VI: Dinitrogen activation on hydroxo and hydrogen sulfide complexes of Ti, V, Cr, Mn and FePELIKAN, P; BOCA, R.Journal of molecular catalysis. 1984, Vol 23, Num 1, pp 63-79, issn 0304-5102Article

MAXIMUM OVERLAP APPROXIMATION CALCULATIONS ON POLYATOMIC MOLECULES. I. EMOA METHOD.BOCA R; PELIKAN P; VALKO L et al.1975; CHEM. PHYS.; NETHERL.; DA. 1975; VOL. 11; NO 2; PP. 229-236; BIBL. 25 REF.Article

Werner clathrates as examples of guest-to-host influencesJONA, E; BOCA, R.Journal of inclusion phenomena and molecular recognition in chemistry. 1992, Vol 14, Num 1, pp 65-71, issn 0923-0750Conference Paper

VALENCE ORBITAL IONIZATION POTENTIALS OF K(2)L(8)M(18)N(32) 5S²5P⁶5D^ALPHA 6S^BETA 6P^GAMMA ATOMS AND IONSPELIKAN P; LISKA M; BOCA R et al.1978; CHEM. ZVESTI; CSK; DA. 1978; VOL. 32; NO 5; PP. 577-582; ABS. RUS; BIBL. 9 REF.Article

Electronic structure and density of states in K_xC₆₀ and Cs_xC₆₀BOCA, R; HAJKO, P.Solid state communications. 1994, Vol 90, Num 11, pp 755-759, issn 0038-1098Article

Quantum chemistry of coordination compoundsBOCA, R; PELIKAN, P.Coordination chemistry reviews. 1992, Vol 118, pp i-xiii, issn 0010-8545, 415 p.Serial Issue