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Results:
1-23
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Results: 23
Authors:
LESECH C
SILVI B
Citation: C. Lesech et B. Silvi, STUDY OF POSITRONIUM HYDRIDE WITH A SIMPLE WAVE-FUNCTION - APPLICATION TO THE STARK-EFFECT OF PSH, Chemical physics, 236(1-3), 1998, pp. 77-85
Authors:
ALIKHANI ME
SILVI B
Citation: Me. Alikhani et B. Silvi, DFT-PREDICTED STRUCTURAL, VIBRATIONAL, AND BONDING PROPERTIES OF XSIOAND X2SIO (X = F, CL, OR BR) MOLECULES, Journal of computational chemistry, 19(11), 1998, pp. 1205-1214
Authors:
NOURY S
COLONNA F
SAVIN A
SILVI B
Citation: S. Noury et al., ANALYSIS OF THE DELOCALIZATION IN THE TOPOLOGICAL THEORY OF CHEMICAL-BOND, Journal of molecular structure, 450(1-3), 1998, pp. 59-68
Authors:
BOUTEILLER Y
DESFRANCOIS C
SCHERMAN JP
LATAJKA Z
SILVI B
Citation: Y. Bouteiller et al., CALCULATION OF ELECTRONIC AFFINITY AND VERTICAL DETACHMENT ENERGY OF THE WATER DIMER COMPLEX USING THE DENSITY-FUNCTIONAL THEORY, The Journal of chemical physics, 108(19), 1998, pp. 7967-7972
Authors:
KROKIDIS X
SILVI B
ALIKHANI ME
Citation: X. Krokidis et al., TOPOLOGICAL CHARACTERIZATION OF THE ISOMERIZATION MECHANISMS IN XNO (X = H, CL), Chemical physics letters, 292(1-2), 1998, pp. 35-45
Authors:
KROKIDIS X
NOURY S
SILVI B
Citation: X. Krokidis et al., CHARACTERIZATION OF ELEMENTARY CHEMICAL PROCESSES BY CATASTROPHE-THEORY, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(39), 1997, pp. 7277-7282
Authors:
SILVI B
BELTRAN A
ANDRES J
Citation: B. Silvi et al., PERIODIC HARTREE-FOCK CALCULATION OF THE A(1G) (T-Z) AND E-G (T-X, T-Y) PHONON MODES IN ICE-VIII, Journal of molecular structure, 437, 1997, pp. 443-449
Authors:
ALIKHANI ME
BOUTEILLER Y
SILVI B
Citation: Me. Alikhani et al., BONDING, ELECTRONIC, AND VIBRATIONAL ANALYSIS OF THE AL-C2H4 COMPLEX USING DENSITY-FUNCTIONAL THEORY AND TOPOLOGICAL METHOD (ELF), Journal of physical chemistry, 100(40), 1996, pp. 16092-16097
Authors:
SAVIN A
SILVI B
COLONNA F
Citation: A. Savin et al., TOPOLOGICAL ANALYSIS OF THE ELECTRON LOCALIZATION FUNCTION APPLIED TODELOCALIZED BONDS, Canadian journal of chemistry, 74(6), 1996, pp. 1088-1096
Authors:
LLUSAR R
BELTRAN A
ANDRES J
SILVI B
SAVIN A
Citation: R. Llusar et al., PSEUDOPOTENTIAL PERIODIC HARTREE-FOCK STUDY OF K8IN11 AND RB8IN11 SYSTEMS, Journal of physical chemistry, 99(33), 1995, pp. 12483-12487
Authors:
GATTI C
SILVI B
COLONNA F
Citation: C. Gatti et al., DIPOLE-MOMENT OF THE WATER MOLECULE IN THE CONDENSED-PHASE - A PERIODIC HARTREE-FOCK ESTIMATE, Chemical physics letters, 247(1-2), 1995, pp. 135-141
Authors:
JOLLY LH
SILVI B
DARCO P
Citation: Lh. Jolly et al., PERIODIC HARTREE-FOCK STUDY OF MINERALS - HEXACOORDINATED SIO2 AND GEO2 POLYMORPHS, European journal of mineralogy, 6(1), 1994, pp. 7-16
Authors:
SILVI B
SAVIN A
KEMPF JY
VONSCHNERING HG
Citation: B. Silvi et al., CHARACTERIZATION OF THE BONDING IN V2O5 AND SNF4 FROM A TOPOLOGICAL ANALYSIS OF THE ELECTRON LOCALIZATION FUNCTION, Bulletin of the Polish Academy of Sciences. Chemistry, 42(3), 1994, pp. 413-420
Authors:
BESSON JM
PRUZAN P
KLOTZ S
HAMEL G
SILVI B
NELMES RJ
LOVEDAY JS
WILSON RM
HULL S
Citation: Jm. Besson et al., VARIATION OF INTERATOMIC DISTANCES IN ICE-VIII TO 10 GPA, Physical review. B, Condensed matter, 49(18), 1994, pp. 12540-12550
Authors:
SILVI B
Citation: B. Silvi, IMPORTANCE OF ELECTROSTATIC INTERACTIONS BETWEEN NONBONDED MOLECULES IN ICE, Physical review letters, 73(6), 1994, pp. 842-845
Authors:
SILVI B
SAVIN A
Citation: B. Silvi et A. Savin, CLASSIFICATION OF CHEMICAL-BONDS BASED ON TOPOLOGICAL ANALYSIS OF ELECTRON LOCALIZATION FUNCTIONS, Nature, 371(6499), 1994, pp. 683-686
Authors:
BOROSY AP
SILVI B
ALLAVENA M
NORTIER P
Citation: Ap. Borosy et al., STRUCTURE AND BONDING OF BULK AND SURFACE THETA-ALUMINA FROM PERIODICHARTREE-FOCK CALCULATIONS, Journal of physical chemistry, 98(50), 1994, pp. 13189-13194
Authors:
SILVI B
Citation: B. Silvi, CORRELATION OF FREQUENCY-SHIFTS WITH OTHER PROPERTIES IN ICE - A PERIODIC HARTREE-FOCK STUDY, Journal of molecular structure, 325, 1994, pp. 77-84
Authors:
JOLLY LH
SILVI B
DARCO P
Citation: Lh. Jolly et al., PERIODIC HARTREE-FOCK INVESTIGATION OF THE STISHOVITE CACL2-LIKE PHASE-TRANSITION OF SILICA, Journal de chimie physique et de physico-chimie biologique, 90(9), 1993, pp. 1887-1895
Authors:
SILVI B
Citation: B. Silvi, SPECIAL ISSUE IN MEMORY OF JOSIEN,MARIE,L OUSIE - FOREWORD, Journal de chimie physique et de physico-chimie biologique, 90(9), 1993, pp. 180000001-180000001
Authors:
KEMPF JY
SILVI B
DIETRICH A
CATLOW CRA
MAIGRET B
Citation: Jy. Kempf et al., THEORETICAL INVESTIGATIONS OF THE ELECTRONIC-PROPERTIES OF VANADIUM-OXIDES .1. PSEUDOPOTENTIAL PERIODIC HARTREE-FOCK STUDY OF V2O5 CRYSTAL-LATTICE, Chemistry of materials, 5(5), 1993, pp. 641-647
Authors:
SILVI B
BOUAZIZ A
DARCO P
Citation: B. Silvi et al., PSEUDOPOTENTIAL PERIODIC HARTREE-FOCK STUDY OF MG2SIO4 POLYMORPHS - OLIVINE, MODIFIED SPINEL AND SPINEL, Physics and chemistry of minerals, 20(5), 1993, pp. 333-340
Authors:
FAHMI A
MINOT C
SILVI B
CAUSA M
Citation: A. Fahmi et al., THEORETICAL-ANALYSIS OF THE STRUCTURES OF TITANIUM-DIOXIDE CRYSTALS, Physical review. B, Condensed matter, 47(18), 1993, pp. 11717-11724
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