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Results 1 to 25 of 6799

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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

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

Photoinduced charge currents in mesoscopic ringsMATOS-ABIAGUE, A; BERAKDAR, J.Physical review letters. 2005, Vol 94, Num 16, pp 166801.1-166801.4, issn 0031-9007Article

E° (3/2) redox potentials of lanthanides and actinides with fqd electronic configurationDAVID, F; IONOVA, G; GUILLAUMONT, R et al.Journal of radioanalytical and nuclear chemistry. 1995, Vol 199, Num 1, pp 35-40, issn 0236-5731Article

The interaction between 5-hydroxytryptamine and tryptophan : a serotonin receptor modelRUBENSTEIN, L. A; OSMAN, R.Journal of molecular structure. Theochem. 1991, Vol 235, Num 3-4, pp 321-342, issn 0166-1280Article

X-ray electron density distribution of GaAsPIETSCH, U; TSIRELSON, V. G; OZEROV, R. P et al.Physica status solidi. B. Basic research. 1986, Vol 138, Num 1, pp 47-52, issn 0370-1972Article

Electron density studies of KCl and LiF by γ-ray diffractometrySCHMIDT, M. C; CORELLA, R; YODER-SHORT, D. R et al.Acta crystallographica. Section A, Crystal physics, diffraction, theoretical and general crystallography. 1985, Vol 41, Num 2, pp 171-175, issn 0567-7394Article

Bond charges and crystal pseudopotential in black phosphorusSASAKI, T; ASAHINA, H; MORITA, A et al.Journal of the Physical Society of Japan. 1985, Vol 54, Num 7, pp 2374-2377, issn 0031-9015Article

Local behavior of the kinetic energy in density functional theoryZORITA, M. L; ALONSO, J. A; BALBAS, L. C et al.International journal of quantum chemistry. 1985, Vol 27, Num 4, pp 393-406, issn 0020-7608Article

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