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Results 1 to 25 of 7661

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Hellmann-Feynman constraint on charge densities, an experimental testHIRSHFELD, F. L.Acta crystallographica. Section B, Structural crystallography and crystal chemistry. 1984, Vol 40, Num 6, pp 613-615, issn 0567-7408Article

Adiabatic molecular properties beyond the Born-Oppenheimer approximation. Complete adiabatic wave functions and vibrationally induced electronic current densityNAFIE, L. A.The Journal of chemical physics. 1983, Vol 79, Num 10, pp 4950-4957, issn 0021-9606Article

Static and dynamical valence charge and bond charge properties of zincblende structure compoundsPIETSCH, U.Physica status solidi. B. Basic research. 1985, Vol 128, Num 2, pp 439-451, issn 0370-1972Article

Evolution of electronic distribution during chemical reactionsDAUDEL, R.Journal of molecular structure. 1983, Vol 103, pp 269-273, issn 0022-2860, specArticle

A STUDY OF CHARGE DENSITY IN BERYLLIUMBROWN PJ.1972; PHILOS. MAG.; G.B.; DA. 1972; VOL. 26; NO 6; PP. 1377-1394; BIBL. 18 REF.Serial Issue

Bonded Radii and the Contraction of the Electron Density of the Oxygen Atom by Bonded InteractionsGIBBS, Gerald V; ROSS, Nancy L; COX, David F et al.The journal of physical chemistry. A. 2013, Vol 117, Num 7, pp 1632-1640, issn 1089-5639, 9 p.Article

Introduction of the explicit long-range nonlocality as an alternative to the gradient expansion approximation for the kinetic-energy functionalTRAN, Fabien; WESOTOWSKI, Tomasz A.Chemical physics letters. 2002, Vol 360, Num 3-4, pp 209-216, issn 0009-2614, 8 p.Article

Origin of high-temperature superconductivityDOW, John D; HARSHMAN, Dale R.Physica. B, Condensed matter. 2002, Vol 312-13, pp 53-55, issn 0921-4526Conference Paper

Is accurate X-ray analysis worthwhile?DUNITZ, J. D.Bulletin of the Chemical Society of Japan. 1988, Vol 61, Num 1, pp 1-11, issn 0009-2673Article

Bloch and Wannier functions in momentum spaceCALAIS, J.-L.Collection of Czechoslovak chemical communications. 1988, Vol 53, Num 9, pp 1890-1901, issn 0010-0765Article

Computer investigation of the quantum charge distribution in single and multiple heterojunction MODFETsVOINICESCU, S.Revue roumaine des sciences techniques. Electrotechnique et énergétique. 1988, Vol 33, Num 4, pp 419-432, issn 0035-4066Article

Charge density in cuprite, Cu2ORESTORI, R; SCHWARZENBACH, D.Acta crystallographica. Section B, Structural science. 1986, Vol 42, Num 3, pp 201-208, issn 0108-7681Article

Electron-density distribution in crystals of lithium nitrite hydrate, LiNO2.H2O, at 120 KOHBA, S; KIKKAWA, T; SAITO, Y et al.Acta crystallographica. Section C, Crystal structure communications. 1985, Vol 41, Num 1, pp 10-13, issn 0108-2701Article

Relativistic corrections to the kinematic X-ray scattering in the Pauli approximationGRELLAND, H. H.Acta crystallographica. Section A, Crystal physics, diffraction, theoretical and general crystallography. 1985, Vol 41, Num 3, pp 301-303, issn 0567-7394Article

Bipolar diffusion charging of fibrous aerosol particles. I: Charging theoryWEN, H. Y; REISCHL, G. P; KASPER, G et al.Journal of aerosol science. 1984, Vol 15, Num 2, pp 89-101, issn 0021-8502Article

The aromatic C-NO2 bond as a site for nucleophilic attackPOLITZER, P; LAURENCE, P. R; ABRAHMSEN, L et al.Chemical physics letters. 1984, Vol 111, Num 1-2, pp 75-78, issn 0009-2614Article

Charge localization in solvated ions and in molecular core-hole statesSAN-YAN CHU; SHYI-LONG LEE.Chemical physics letters. 1983, Vol 98, Num 5, pp 482-484, issn 0009-2614Article

State dependent volume isotope shift analysis of the low lying states of Ba I and Ba IIFRICKE, B; GRUNDEVIK, P; LINDGREN, I et al.Physics letters. A. 1983, Vol 97, Num 5, pp 183-186, issn 0375-9601Article

Topology of the electronic current density in moleculesGOMES, J. A. N. F.Physical review. A, General physics. 1983, Vol 28, Num 2, pp 559-566, issn 0556-2791Article

Charge disproportionation and search for orbital ordering in NdNiO3 by use of resonant x-ray diffractionSCAGNOLI, V; STAUB, U; KAZAKOV, S. M et al.Physical review B. Condensed matter and materials physics. 2005, Vol 72, Num 15, pp 155111.1-155111.7, issn 1098-0121Article

Ion adsorption and equilibrium distribution of charges in a cell of finite thicknessBARBERO, G; DURAND, G.Journal de physique (Paris). 1990, Vol 51, Num 4, pp 281-291, issn 0302-0738Article

Nouvelle méthode de calcul de l'électronégativité des atomesGORBUNOV, A. I; KAGANYUK, D. S.Žurnal fizičeskoj himii. 1986, Vol 60, Num 9, pp 2336-2338, issn 0044-4537Article

Hochauflösende Röntgen-Strukturanalyse: eine experimentelle Methode zur Beschreibung chemischer Bindungen = Analyse structurale par RX avec fort grossissement. Une méthode expérimentale pour la description des liaisons chimiques = High increase X-Ray structure analysis. An experimental method for chemical binding descriptionANGERMUND, K; CLAUS, K. H; GODDARD, R et al.Angewandte Chemie. 1985, Vol 97, Num 4, pp 241-252, issn 0044-8249Article

Pictorial representation of three-dimensional electron distributions through a perspective view of contour diagrams in a set of parallel planesGILBERT, M. M; DONN, J. J; PEIRCE, M et al.Journal of computational chemistry. 1985, Vol 6, Num 3, pp 209-215, issn 0192-8651Article

Vergleich der Elektronendichteverteilungen des Hydrido-interstitialkomplexes HNb6H11 und des Interstitialhydrids HNb: ein Beitrag zur Cluster-bulk-Analogie = Comparaison des distributions de densité électronique dans le complexe interstitiel hydruro HNb6I11 et l'hydrure interstitiel HNb. Contribution à l'analogie agrégat-composé massif = Comparison of electron density distributions in the hydrido-interstitial complex HbNb6I11 and in the interstitial hydride HNb: a contribution to cluster-bulb analogyFRITSCHE, H.-G; DÜBLER, F; MÜLLER, H et al.Zeitschrift für anorganische und allgemeine Chemie (1950). 1984, Vol 513, pp 46-56, issn 0044-2313Article

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