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Results 1 to 25 of 113561

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Chemical probes of metal cluster structure: Fe, Co, Ni and CuPARKS, E. K; ZHU, L; HO, J et al.Zeitschrift für Physik. D, atoms, molecules and clusters. 1993, Vol 26, Num 1-4, pp 41-45, issn 0178-7683Conference Paper

Chemical bonding and electronic structure of small homonuclear clusters of elements of Groups IA, IIA IIIA and IVAPACCHIONI, G; PLAVSIC, D; KOUTECKY, J et al.Berichte der Bunsengesellschaft für Physikalische Chemie. 1983, Vol 87, Num 6, pp 503-512, issn 0005-9021Article

A momentum-space view of the chemical bond. I: The first-row homonuclear diatomicsROZENDAAL, A; BAERENDS, E. J.Chemical physics. 1985, Vol 95, Num 1, pp 57-91, issn 0301-0104Article

Diffuse bands in the visible absorption spectra of dense alkali vapoursPICHLER, G; MILOSEVIC, S; VEZA, D et al.Journal of physics. B. Atomic and molecular physics. 1983, Vol 16, Num 24, pp 4619-4631, issn 0022-3700Article

Diatomic potential functions for triatomic scatteringGARCIA, E; LAGANA, A.Molecular physics (Print). 1985, Vol 56, Num 3, pp 621-627, issn 0026-8976Article

Completely numerical calculations on diatomic molecules in the local-density approximationBECKE, A. D.Physical review. A, General physics. 1986, Vol 33, Num 4, pp 2786-2788, issn 0556-2791Article

Comparison of small metal clusters: Ni, Pd, Pt, Cu, Ag, AuVLACHOS, D. G; SCHMIDT, L. D; ARIS, R et al.Zeitschrift für Physik. D, atoms, molecules and clusters. 1993, Vol 26, pp S156-S158, issn 0178-7683, SUPConference Paper

Electron difference densities and chemical bondingSCHWARZ, W. H. E; VALTAZANOS, P; RUEDENBERG, K et al.Theoretica chimica acta. 1985, Vol 68, Num 6, pp 471-506, issn 0040-5744Article

Effects of centrifugal distortion on the distance and amplitude parameters of diatomic moleculesBUTAYEV, B. J; SPIRIDONOV, V. P; SAAKJAN, A. J et al.Journal of molecular structure. 1985, Vol 119, Num 3-4, pp 295-306, issn 0022-2860Article

Surface and volume of three, four, six and twelve hard fused spheresLUSTIG, R.Molecular physics (Print). 1985, Vol 55, Num 2, pp 305-317, issn 0026-8976Article

Dynamic orbital forces and molecular geometry in the density-functional formalismPAINTER, G. S; AVERILL, F. W.Physical review. B, Condensed matter. 1987, Vol 35, Num 14, pp 7713-7716, issn 0163-1829Article

Gas utilization in the Tokamak fusion test reactor neutral beam injectorsKAMPERSCHROER, J. H; GAMMEL, G. M; KUGEL, H. W et al.Journal of vacuum science and technology. A. Vacuum, surfaces, and films. 1989, Vol 7, Num 1, pp 83-89, issn 0734-2101, 7 p.Article

An augmented coupled cluster method and its application to the first-row homonuclear diatomicsRAGHAVACHARI, K.The Journal of chemical physics. 1985, Vol 82, Num 10, pp 4607-4610, issn 0021-9606Article

Local exchange-correlation approximations and first-row molecular dissociation energiesBECKE, A. D.International journal of quantum chemistry. 1985, Vol 27, Num 5, pp 585-594, issn 0020-7608Article

Breathing-sphere quantum calculations of integral and differential cross sections for vibrational excitation in ion (atom)-diatom collisionsDROLSHAGEN, G; TOENNIES, J. P.Chemical physics. 1983, Vol 79, Num 2, pp 159-177, issn 0301-0104Article

Density functional description of molecular bonding within the local spin density approximationPAINTER, G. S.Journal of physical chemistry (1952). 1986, Vol 90, Num 22, pp 5530-5535, issn 0022-3654Conference Paper

An ab initio study of core-valence correlationPARTRIDGE, H; BAUSCHLICHER, C. W. JR; WALCH, S. P et al.The Journal of chemical physics. 1983, Vol 79, Num 4, pp 1866-1873, issn 0021-9606Article

High-resolution UV photoelectron spectroscopy of diatomic halogensVAN LONKHUYZEN, H; DE LANGE, C. A.Chemical physics. 1984, Vol 89, Num 2, pp 313-322, issn 0301-0104Article

On the theory of diatomic interactions. A new three-parameter diatomic potential energy functionKRYACHKO, E. S.Chemical physics letters. 1985, Vol 116, Num 5, pp 411-414, issn 0009-2614Article

An iterative semi-empirical method for the study of large-size metal aggregates. Part I. Li, Na, K, Cu and Ag clustersJULG, A; LASZLO, I; PELLEGATTI, A et al.Journal of molecular structure. 1983, Vol 14, Num 3-4, pp 393-405, issn 0022-2860Article

Modified generalized valence-bond method: a simple correction for the electron correlation missing in generalized valence-bond wave functions; prediction of double-well state for Cr2 and Mo2GOODGAME, M. M; GODDARD, W. A. III.Physical review letters. 1985, Vol 54, Num 7, pp 661-664, issn 0031-9007Article

Electron diffraction study on the rise of crystal phase in rare-gas and nitrogen clustersKOVALENKO, S. I; SOLNYSHKIN, D. D; BONDARENKO, E. A et al.Journal of crystal growth. 1998, Vol 191, Num 3, pp 553-557, issn 0022-0248Article

Hypermagnetizability anisotropy (Cotton-Mouton effect) for the rare gases and methaneBISHOP, D. M; PIPIN, J.Chemical physics letters. 1991, Vol 186, Num 2-3, pp 195-197, issn 0009-2614Article

Electronic absorption spectra of the group 3A metal dimers isolated in cryogenic matricesDOUGLAS, M. A; HAUGE, R. H; MARGRAVE, J. L et al.Journal of physical chemistry (1952). 1983, Vol 87, Num 15, pp 2945-2947, issn 0022-3654Article

Systematic Theoretical Study of Non-nuclear Electron Density Maxima in Some Diatomic MoleculesTERRABUIO, Luiz A; TEODORO, Tiago Q; RACHID, Marina G et al.The journal of physical chemistry. A. 2013, Vol 117, Num 40, pp 10489-10496, issn 1089-5639, 8 p.Article

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