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Program for generating directed hybrid atomic orbitals to facilitate Fock matrix transference in SAMO-type proceduresBÁLINT, I; BÁN, M. I.Computers & chemistry. 1983, Vol 7, Num 4, pp 199-202, issn 0097-8485Article

The topology of coordination polyhedra and their rearrangementsKING, R. B.Polyhedron. 1994, Vol 13, Num 13, pp 2005-2016, issn 0277-5387Conference Paper

Symmetry adapted ligand group orbitals and analytical compositions of hybrid orbitals in ABn type moleculesDHAR, S. K.Journal of coordination chemistry. 1993, Vol 29, Num 1-2, pp 17-26, issn 0095-8972Article

Bond orbital models. II: Construction of zero-non-bonding-overlap hybrids and their use in approximate molecular computationsBARONE, V; DEL RE, G; LAMI, A et al.Journal of molecular structure. 1983, Vol 105, Num 1-2, pp 191-200, issn 0022-2860Article

The relations between the valence angles of sp3-hybridized central atoms for all possible local symmetriesKLAHN, B.Journal of molecular structure. 1983, Vol 104, Num 1-2, pp 49-77, issn 0022-2860Article

A CNDO method for bonding energy calculation of isovalent and isoelectronic impurities in tetrahedral semiconductorsVOLKOV, D. A; FISTUL, V. I.Physica status solidi. B. Basic research. 1991, Vol 167, Num 1, pp K9-K11, issn 0370-1972Article

Local effect of Na adsorption on Cu(111)YU, S; BAHRIM, B; MAKARENKO, B et al.Surface science. 2012, Vol 606, Num 21-22, pp 1700-1704, issn 0039-6028, 5 p.Article

EQUIVALENT SPHERICAL HARMONICS.SCHMELZER A.1977; INTERNATION. J. QUANTUM CHEM.; U.S.A.; DA. 1977; VOL. 11; NO 4; PP. 561-576; ABS. FR. ALLEM.; BIBL. 16 REF.Article

HYBRID ORBITALS AND THE RUNGE-LENZ VECTOR.LOHR LL JR.1976; INTERNATION. J. QUANTUM CHEM.; U.S.A.; DA. 1976; VOL. 10; NO 5; PP. 799-809; ABS. FR. ALLEM.; BIBL. 22 REF.Article

Analytical determination of the coefficient of optical absorption in carbon nanotubesGRADO-CAFFARO, M. A; GRADO-CAFFARO, M.Optik (Stuttgart). 2002, Vol 113, Num 2, pp 101-102, issn 0030-4026Article

s-Character of MX4 (M=C, Si, Ge, X=F, Cl, Br, I) moleculesNAKAMURA, J; KONOGI, H; SATO, H et al.Journal of the Physical Society of Japan. 1997, Vol 66, Num 6, pp 1656-1659, issn 0031-9015Article

Bond strength and bond angles for hybrid orbitals composed of arbitrary sets of orbital angular momentum quantum numberCHANG-GUO ZHAN; LIU, F; ZHEN-MIN HU et al.International journal of quantum chemistry. 1987, Vol 32, Num 1, pp 13-18, issn 0020-7608Article

Maximum overlap method and the bond strengthLIU, F; CHANG-GUO ZHAN.International journal of quantum chemistry. 1987, Vol 32, Num 1, pp 1-11, issn 0020-7608Article

Hybrid orbital energy for heterojunction band lineupHASEGAWA, H; OHNO, H; SAWADA, T et al.Japanese journal of applied physics. 1986, Vol 25, Num 4, pp L265-L268, issn 0021-4922, 2Article

Generalized relationship for calculation of nuclear spin-spin coupling constants between directly bonded carbon and hydrogen atomsCHANG-GUO ZHAN; ZHEN-MIN HU.Magnetic resonance in chemistry. 1994, Vol 32, Num 8, pp 465-467, issn 0749-1581Article

HYBRID MOLECULAR ORBITALS FOR REACTING SYSTEMS: ELUCIDATION OF REACTIVE DOMAINSFUJIMOTO H; KOGA N; ENDO M et al.1981; TETRAHEDRON LETT.; ISSN 0040-4039; GBR; DA. 1981; VOL. 22; NO 35; PP. 3427-3430; BIBL. 8 REF.Article

GENERALIZED HYBRID ORBITALS.KIRKWOOD EF; COOK DB.1977; THEOR. CHIM. ACTA; ALLEM.; DA. 1977; VOL. 44; NO 2; PP. 139-163; BIBL. 31 REF.Article

A COUPLED FRAGMENT MOLECULAR ORBITAL METHOD FOR INTERACTING SYSTEMSFUJIMOTO H; KOGA N; FUKUI K et al.1981; J. AM. CHEM. SOC.; ISSN 0002-7863; USA; DA. 1981; VOL. 103; NO 25; PP. 7452-7457; BIBL. 49 REF.Article

THE SIMULATED AB INITIO MOLECULAR ORBITAL (SAMO) METHOD: APPLICATION TO SECOND-ROW ELEMENTSDUKE BJ; O'LEARY B.1980; CHEM. PHYS. LETTERS; NLD; DA. 1980; VOL. 69; NO 3; PP. 517-520; BIBL. 15 REF.Article

A NEW EMPIRICAL METHOD TO CALCULATE AVERAGE MOLECULAR POLARIZABILITIESMILLER KJ; SAVCHIK JA.1979; J. AMER. CHEM. SOC.; USA; DA. 1979; VOL. 101; NO 24; PP. 7206-7213; BIBL. 27 REF.Article

ON THE PAIRWISE NONORTHOGONALITY PROBLEM IN QUANTUM CHEMISTRY.ZIVKOVIC T; MAKSIC ZB.1976; CROAT. CHEM. ACTA; YUGOSL.; DA. 1976; VOL. 48; NO 3; PP. 301-307; ABS. YUGOSL.; BIBL. 14 REF.Article

HALOGENURES ALCALINS: UN MODELE INCLUANT UNE DELOCALISATION A COURTE DISTANCE. APPLICATION A LA STABILITE RELATIVE DES DIVERS ARRANGEMENTS CRISTALLINS.JULG A; MARINELLI F.1976; INTERNATION. J. QUANTUM CHEM.; U.S.A.; DA. 1976; VOL. 10; NO 6; PP. 1037-1047; ABS. ANGL. ALLEM.; BIBL. 37 REF.Article

Electronic structure and visible light photocatalysis water splitting property of chromium-doped SrTiO3LIU, J. W; CHEN, G; LI, Z. H et al.Journal of solid state chemistry (Print). 2006, Vol 179, Num 12, pp 3704-3708, issn 0022-4596, 5 p.Article

He-He chemical bonding in high-frequency intense laser fieldsYASUIKE, Tomokazu; SOMEDA, Kiyohiko.Journal of physics. B. Atomic, molecular and optical physics (Print). 2004, Vol 37, Num 15, pp 3149-3162, issn 0953-4075, 14 p.Article

Structures moléculairesVALEUR, Bernard.Techniques de l'ingénieur. Constantes physico-chimiques. 2004, Vol K1, Num K90, issn 0245-9604, K90.1-K90.10Article

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