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Results 1 to 25 of 90

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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

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

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

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

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

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

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

Calculation of molecular maximum bond energy structuresCHANG-GUO ZHAN.Chemical physics letters. 1991, Vol 179, Num 1-2, pp 137-141, issn 0009-2614, 5 p.Article

Hybrids and bond formation : excursions in momentum spaceCOOPER, D. L; LOADES, S. D; ALLAN, N. L et al.Journal of molecular structure. Theochem. 1991, Vol 229, pp 189-196, issn 0166-1280, 8 p.Article

Electronic shell structure of group-IIIA metal atomic clustersSCHRIVER, K. E; PERSSON, J. L; HONEA, E. C et al.Physical review letters. 1990, Vol 64, Num 21, pp 2539-2542, issn 0031-9007, 4 p.Article

The molecular structure of hydrazine and melamine : rotational barriers and hybridisationMEIER, R. J; COUSSENS, B.Journal of molecular structure. Theochem. 1990, Vol 209, Num 3-4, pp 303-312, issn 0166-1280, 10 p.Article

An improved Sandorfy C method for permethylpolysilanesHERMAN, A.Chemical physics. 1988, Vol 122, Num 1, pp 53-61, issn 0301-0104Article

PCILO: problems in predicting valid structureWRINN, M. C; WHITEHEAD, M. A.Journal of molecular structure. 1986, Vol 137, Num 3-4, pp 197-205, issn 0022-2860Article

Microscopic theory of electron-phonon interaction and superconductivity of BaPb1-xBixO3SHIRAI, M; SUZUKI, N; MOTIZUKI, K et al.Solid state communications. 1986, Vol 60, Num 6, pp 489-493, issn 0038-1098Article

Interatomic bonds and the tensile anisotropy of trialuminides in the elastic limit : a density functional study for Al3(Sc, Ti, V, Cr)JAHNATEK, M; KRAJCI, M; HAFNER, J et al.Philosophical magazine (2003. Print). 2007, Vol 87, Num 11, pp 1769-1794, issn 1478-6435, 26 p.Article

Understanding plasmons in nanoscale voidsCOLE, Robin M; BAUMBERG, Jeremy J; GARCIA DE ABAJO, F. J et al.Nano letters (Print). 2007, Vol 7, Num 7, pp 2094-2100, issn 1530-6984, 7 p.Article

Rationale for the acidity of Meldrum's acid. Consistent relation of C-H acidities to the properties of localized reactive orbitalNAKAMURA, Satoshi; HIRAO, Hajime; OHWADA, Tomohiko et al.Journal of organic chemistry. 2004, Vol 69, Num 13, pp 4309-4316, issn 0022-3263, 8 p.Article

An analytical study on the local electronic density of states of the Valence bands in amorphous silicon carbideGRADO-CAFFARO, M. A; GRADO-CAFFARO, M.Active and passive electronic components. 1998, Vol 21, Num 3, pp 213-215, issn 0882-7516Article

Maximum bond order hybrid orbitals. II: Correlativity with C-H and C-C spin-coupling constantsZHEN-MIN HU; CHANG-GUO ZHAN.Theoretica chimica acta. 1993, Vol 84, Num 6, pp 521-533, issn 0040-5744Article

Contribution à la modélisation de la réactivité dans les macromolécules biologiques = Contribution to the modelisation of the reactivity in biological macromoleculesThery, Vincent; Rivail, Jean-Louis.1993, 120 p.Thesis

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