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Results 1 to 25 of 67212

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On the application of Maximum Entropy Method to the electron density distribution and phaseless problemWALISZEWSKI, Janusz; DOBRZYNSKI, Ludwik.Journal of the Physical Society of Japan. 2001, Vol 70, Num 1, pp 148-154, issn 0031-9015Article

Evaluation of net atomic charges and atomic and molecular electrostatic moments through topological analysis of the experimental charge densityVOLKOV, A; GATTI, C; ABRAMOV, Yu et al.Acta crystallographica. Section A, Foundations of crystallography. 2000, Vol 56, Num 3, pp 252-258, issn 0108-7673Article

Direct observation of orbital order in manganites by MEM charge-density studyTAKATA, M; NISHIBORI, E; KATO, K et al.Journal of the Physical Society of Japan. 1999, Vol 68, Num 7, pp 2190-2193, issn 0031-9015Article

Ab-initio molecular dynamics studies of a Ga13 clusterGONG, X. G; ZHENG, Q. Q; HAN, R. S et al.Solid state communications. 1995, Vol 94, Num 9, pp 735-739, issn 0038-1098Article

Temperature and pressure driven valence change in ternary Eu-pnictidesMICHELS, G; HUHNT, C; SCHARBRODT, W et al.Physica. B, Condensed matter. 1995, Vol 206-07, pp 408-411, issn 0921-4526Conference Paper

Photoinitiated electron transfer in synthetic model systemsAKINS, D. L; GUO, C.Advanced materials (Weinheim). 1994, Vol 6, Num 6, pp 512-516, issn 0935-9648Article

Effect of magnetic particle chain formation on the entropy change in superparamagnetic nanocomposite systemsCHEN, D. Y; PATEL, S; SHAW, D. T et al.Journal of magnetism and magnetic materials. 1994, Vol 134, Num 1, pp 75-78, issn 0304-8853Article

A simple model for the estimation of electronegativities of cations in different electronic states and coordinationsPORTIER, J; CAMPET, G; ETOURNEAU, J et al.Journal of alloys and compounds. 1994, Vol 209, pp 285-289, issn 0925-8388Article

Absence of the electronic effect in the metal-metal bonding of tellurium analogues of the Chevrel- and related-phasesBERRY, F. J; FORGAN, E. M; GIBBS, C. D et al.Solid state communications. 1993, Vol 85, Num 6, pp 545-549, issn 0038-1098Article

Study of isotope composition in crystals by high resolution spectroscopy of monoisotope impurityAGLADZE, N. I; POPOVA, M. N; ZHIZHIN, G. N et al.Journal of experimental and theoretical physics (Print). 1993, Vol 76, Num 6, pp 1110-1113, issn 1063-7761Article

First-principles ionicity scales. I: Charge asymmetry in the solid stateGARCIA, A; COHEN, M. L.Physical review. B, Condensed matter. 1993, Vol 47, Num 8, pp 4215-4220, issn 0163-1829Article

First-principles ionicity scales. II: Structural coordinates from atomic calculationsGARCIA, A; COHEN, M. L.Physical review. B, Condensed matter. 1993, Vol 47, Num 8, pp 4221-4225, issn 0163-1829Article

Zur Elektronenstruktur hochsymmetrischer Verbindungen der f-Elemente. XXV: Züchtung hochreiner Tris[bis(trimethylsilyl)amido]lanthanoid(III)-Einkristalle für chemische Synthesen und Physikalische Untersuchungen = The electronic structure of highly symmetrical compounds of the f-elements. XXV: Growth of ultrapure tris[bis(trimethylsilyl)amido]lanthanide(III) single crystals for chemical syntheses and physical investigationsHAGEN, C; AMBERGER, H.-D.Zeitschrift für Naturforschung. B, A journal of chemical sciences. 1993, Vol 48, Num 10, pp 1365-1371, issn 0932-0776Article

The trans influence in [Rh(PH3)3Cl] : a density functional theory studyDEETH, R. J.Journal of the Chemical Society. Dalton transactions. 1993, Num 24, pp 3711-3713, issn 0300-9246Article

Controlling the mixed-valence state of halogen-bridged one-dimensional platinum complexes by the substitution of counter ionsMATSUSHITA, N.Synthetic metals. 1993, Vol 56, Num 2-3, pp 3401-3406, issn 0379-6779Conference Paper

Band theory of phase stratificationGORBATSEVICH, A. A; KOPAEV, YU. V; TOKATLY, I. V et al.Soviet physics, JETP. 1992, Vol 74, Num 3, pp 521-532, issn 0038-5646Article

Electronic structure of neutral and charged C60 clustersDE COULON, V; MARTINS, J. L; REUSE, F et al.Physical review. B, Condensed matter. 1992, Vol 45, Num 23, pp 13671-13675, issn 0163-1829Article

Electronic structures of dative metal-metal bonds : ab initio molecular orbital calculations of (OC)5Os-M(CO)5 (M = W, Cr) in comparison with (OC)5M-M(CO)5NAKATSUJI, H; HADA, M; KAWASHIMA, A et al.Inorganic chemistry (Print). 1992, Vol 31, Num 10, pp 1740-1744, issn 0020-1669Article

Intensity analysis of f→ftransitions and energy interaction parameters in studying bonding in Pr3+ and Nd3+ ternary amino acid complexes in the solid stateTANDON, S. P; GOKHROO, A; SURANA, S. S. L et al.Indian journal of pure & applied physics. 1992, Vol 30, Num 2, pp 67-70, issn 0019-5596Article

Polarization, band lineups, sand stability of SiC polytypesQTEISH, A; HEINE, V; NEEDS, R. J et al.Physical review. B, Condensed matter. 1992, Vol 45, Num 12, pp 6534-6542, issn 0163-1829Article

Stimulated-photon-echo spectroscopy. I : Spectral diffusion in Eu3+ : YAIO3YANO, R; MITSUNAGA, M; UESUGI, N et al.Physical review. B, Condensed matter. 1992, Vol 45, Num 22, pp 12752-12759, issn 0163-1829Article

Criteria of a homogeneous mixed valenceKONOVALOVA, E. S; PADERNO, YU. B; TYBULEWICZ et al.Soviet physics. Solid state. 1992, Vol 34, Num 11, pp 1914-1916, issn 0038-5654Article

Electronic and atomic structure of Mn-doped CaF2 : an x-ray-absorption near-edge structure and extended x-ray-absorption fine-structure studyBARKYOUMB, J. H; MANSOUR, A. N.Physical review. B, Condensed matter. 1992, Vol 46, Num 14, pp 8768-8776, issn 0163-1829Article

Theoretical increments and indices for reactivity, acidity, and basicity within solid-state materialsDRONSKOWSKI, R.Journal of the American Chemical Society. 1992, Vol 114, Num 18, pp 7230-7244, issn 0002-7863Article

CuLVV spectrum correlation with Cu3d electron structureDEMENTJEV, A. P; SHALAYEV, D. Y.Physica scripta. T. 1992, Vol 41, pp 180-183, issn 0281-1847Conference Paper

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