Pascal and Francis Bibliographic Databases

Help

Search results

Your search

kw.\*:("BOUND ORBITAL")

Publication Year[py]

A-Z Z-A Frequency ↓ Frequency ↑
Export in CSV

Discipline (document) [di]

A-Z Z-A Frequency ↓ Frequency ↑
Export in CSV

Author Country

A-Z Z-A Frequency ↓ Frequency ↑
Export in CSV

Results 1 to 25 of 51

  • Page / 3
Export

Selection :

  • and

CONCEPTUAL MODEL OF "THROUGH-BONDS" INTERACTIONS.BRUNCK TK; WEINHOLD F.1976; J. AMER. CHEM. SOC.; U.S.A.; DA. 1976; VOL. 98; NO 15; PP. 4392-4393; BIBL. 3 REF.Article

BOND-BOND PAIR POTENTIALS DESCRIBING BARRIER TO ROTATIONS AROUND SINGLE BONDSSURJAN PR.1982; CHEMICAL PHYSICS LETTERS; ISSN 0009-2614; NLD; DA. 1982; VOL. 92; NO 5; PP. 483-485; BIBL. 21 REF.Article

CORRELATION OF NONORTHOGONALITY OF BEST HYBRID BOND ORBITALS WITH BOND STRENGTH OF ORTHOGONAL ORBITALS.PAULING L.1976; PROC. NATION. ACAD. SCI. U.S.A.; U.S.A.; DA. 1976; VOL. 73; NO 2; PP. 274-275; BIBL. 6 REF.Article

ON THE HARTREE-FOCK THEORY OF LOCAL REGIONS IN MOLECULES.PAYNE PW.1977; J. AMER. CHEM. SOC.; U.S.A.; DA. 1977; VOL. 99; NO 11; PP. 3787-3794; BIBL. 38 REF.Article

EXTENSION DE LA METHODE LCAO (CALCUL DE L'ION H2+)VESELOV MG; REKASHEVA TN.1978; VEST. LENINGRAD. UNIV.; SUN; DA. 1978; NO 10; PP. 14-16; ABS. ENG; BIBL. 3 REF.Article

BOND ORBITAL CALCULATIONS ON THE METHANE AND SILANE MOLECULES. II. VERTICAL TRANSITION ENERGIES OF THE LOWER SINGLET-EXCITED STATES OF CH4.KATAGIRI S; KOHDA SUDOH S.1978; BULL. CHEM. SOC. JAP.; JPN; DA. 1978; VOL. 51; NO 4; PP. 1009-1011; BIBL. 20 REF.Article

DO WALSH-ORBITALS "EXIST".HONEGGER E; HEILBRONNER E; SCHMELZER A et al.1982; NOUV. J. CHIM.; ISSN 0398-9836; FRA; DA. 1982; VOL. 6; NO 11; PP. 519-526; ABS. FRE; BIBL. 27 REF.Article

TRANSFERABILITY OF M-H BOND GAUSSIANS: A MODEL POTENTIAL STUDY OF C2H6, SI2H6 AND GE2H6 SYSTEMS.MEHANDRU SP; RAY NK.1978; INDIAN J. CHEM., A; INDIA; DA. 1978; VOL. 16; NO 1; PP. 1-3; BIBL. 34 REF.Article

SECOND-ORDER PROPERTIES AND THE ORBITAL MODEL: A PERTURBATIONAL APPROACH TO NUCLEAR SPIN-SPIN COUPLING CONSTANTS IN A SERIES OF RELATED MOLECULESKARIFOGLOU PK.1979; NOUV. J. CHIM.; FRA; DA. 1979; VOL. 3; NO 3; PP. 151-155; BIBL. 21 REF.Article

Bonding or antibonding position of hydrogen in siliconBARANOWSKI, J. M; TATARKIEWICZ, J.Physical review. B, Condensed matter. 1987, Vol 35, Num 14, pp 7450-7453, issn 0163-1829Article

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

BOND-ANTIBOND ANALYSIS OF INTERNAL ROTATION BARRIERS IN GLYOXAL AND RELATED MOLECULES: WHERE INDO FAILSTYRRELL J; WEINSTOCK RB; WEINHOLD F et al.1981; INT. J. QUANTUM CHEM.; ISSN 0020-7608; USA; DA. 1981; VOL. 19; NO 5; PP. 781-791; BIBL. 15 REF.Article

STRUCTURE OF TRANSITION-METAL CLUSTER COMPOUNDS: USE OF AN ADDITIONAL ORBITAL RESULTING FROM THE F, G CHARACTER OF SPD BOND ORBITALS.PAULING L.1977; PROC. NATION. ACAD. SCI. U.S.A.; USA; DA. 1977; VOL. 74; NO 12; PP. 5235-5238; BIBL. 20 REF.Article

BOND FUNCTIONS IN SCF CALCULATIONS ON MOLECULES CONTAINING SECOND-ROW ATOMS.BURTON PG; CARLSEN NR; MAGNUSSON EA et al.1976; MOLEC. PHYS.; G.B.; DA. 1976; VOL. 32; NO 6; PP. 1687-1694; BIBL. 16 REF.Article

NATURAL HYBRID ORBITALSFOSTER JP; WEINHOLD F.1980; J. AM. CHEM. SOC.; ISSN 0002-7863; USA; DA. 1980; VOL. 102; NO 24; PP. 7211-7218; BIBL. 40 REF.Article

BOND FUNCTIONS AND 3D POLARIZATION FUNCTIONS FOR FLUORINE BONDED MOLECULESLAWLOR L; VASUDEVAN K; GREIN F et al.1980; CHEM. PHYS. LETT.; ISSN 0009-2614; NLD; DA. 1980; VOL. 75; NO 1; PP. 79-84; BIBL. 29 REF.Article

ANGLES BETWEEN ORTHOGONAL SPD BOND ORBITALS WITH MAXIMUM STRENGTH.PAULING L.1976; PROC. NATION. ACAD. SCI. U.S.A.; U.S.A.; DA. 1976; VOL. 73; NO 5; PP. 1403-1405; BIBL. 14 REF.Article

ECONOMICAL GEOMETRY OPTIMIZATION IN FIRST ROW MOLECULES WITH BOND FUNCTION AUGMENTED BASIS SETS.CARLSEN NR.1977; CHEM. PHYS. LETTERS; NETHERL.; DA. 1977; VOL. 51; NO 1; PP. 192-196; BIBL. 24 REF.Article

BOUND FUNCTIONS FOR AB INITIO CALCULATIONS ON POLYATOMIC MOLECULES. HYDROCARBONSNEISIUS D; VERHAEGEN G.1979; CHEM. PHYS. LETTERS; NLD; DA. 1979; VOL. 66; NO 2; PP. 358-362; BIBL. 27 REF.Article

GEOMETRY OPTIMIZATION CALCULATIONS IN MOLECULES CONTAINING SECOND ROW ATOMS WITH VARIOUS POLARIZATION FUNCTION BASIS SETS.CARLSEN NR.1977; CHEM. PHYS. LETTERS; NETHERL.; DA. 1977; VOL. 47; NO 2; PP. 203-208; BIBL. 25 REF.Article

BOND FUNCTION PARAMETER TRANSFERABILITY IN SO2, SF2 AND SO2F2.BURTON PG; CARLSEN NR.1977; CHEM. PHYS. LETTERS; NETHERL.; DA. 1977; VOL. 46; NO 1; PP. 48-52; BIBL. 20 REF.Article

Electronic structure and redox mechanism of dodecamolybdophosphateTAKETA, H; KATSUKI, S; EGUCHI, K et al.Journal of physical chemistry (1952). 1986, Vol 90, Num 13, pp 2959-2962, issn 0022-3654Article

The bonding properties of polyhedral molecular orbitalsZHANG QIANER; YU YAXIONG.Journal of molecular structure. 1986, Vol 136, Num 1-2, pp 45-55, issn 0022-2860Article

Towards the reversible electrode for hydrogen evolution in industrially important electrochemical processesJAKSIC, M. M.International journal of hydrogen energy. 1986, Vol 11, Num 8, pp 519-532, issn 0360-3199Article

Electron correlations in molecules. III: Strength of electron correlations in localized and aromatic bonds of main-group atomsOLES, A. M; FULDE, P; BÖHM, M. C et al.Chemical physics. 1987, Vol 117, Num 3, pp 385-403, issn 0301-0104Article

  • Page / 3