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Results: 1-25/28
Authors:
Angyan, J
Silvi, B
Citation: J. Angyan et B. Silvi, Preface to the ChemBond issue, THEOR CH AC, 105(4-5), 2001, pp. 269-269
Authors:
Calatayud, M
Andres, J
Beltran, A
Silvi, B
Citation: M. Calatayud et al., The hierarchy of localization basins: a tool for the understanding of chemical bonding exemplified by the analysis of the VOx and VOx+ (x=1-4) systems, THEOR CH AC, 105(4-5), 2001, pp. 299-308
Authors:
Llusar, R
Beltran, A
Andres, J
Fuster, F
Silvi, B
Citation: R. Llusar et al., Topological analysis of multiple metal-metal bonds in dimers of the M-2(formamidinate)(4) type with M = Nb, Mo, Tc, Ru, Rh, and Pd, J PHYS CH A, 105(41), 2001, pp. 9460-9466
Authors:
Chevreau, H
Moreira, IDR
Silvi, B
Illas, F
Citation: H. Chevreau et al., Charge density analysis of triplet and broken symmetry states relevant to magnetic coupling in systems with localized spin moments, J PHYS CH A, 105(14), 2001, pp. 3570-3577
Authors:
Fressigne, C
Maddaluno, J
Giessner-Prettre, C
Silvi, B
Citation: C. Fressigne et al., Why are monomeric lithium amides planar?, J ORG CHEM, 66(19), 2001, pp. 6476-6479
Authors:
Berski, S
Latajka, Z
Silvi, B
Lundell, J
Citation: S. Berski et al., Electron localization function studies of the nature of binding in neutralrare-gas containing hydrides: HKrCN, HKrNC, HXeCN, HXeNC, HXeOH, and HXeSH, J CHEM PHYS, 114(10), 2001, pp. 4349-4358
Authors:
Calatayud, M
Silvi, B
Andres, J
Beltran, A
Citation: M. Calatayud et al., A theoretical study on the structure, energetics and bonding of VOx+ and VOx (x=1-4) systems, CHEM P LETT, 333(6), 2001, pp. 493-503
Authors:
Joubert, L
Silvi, B
Picard, G
Citation: L. Joubert et al., Topological approach in the structural and bonding characterization of lanthanide trihalide molecules, THEOR CH AC, 104(2), 2000, pp. 109-115
Authors:
Fuster, F
Silvi, B
Citation: F. Fuster et B. Silvi, Does the topological approach characterize the hydrogen bond?, THEOR CH AC, 104(1), 2000, pp. 13-21
Authors:
Silvi, B
Gatti, C
Citation: B. Silvi et C. Gatti, Direct space representation of the metallic bond, J PHYS CH A, 104(5), 2000, pp. 947-953
Authors:
Fuster, F
Sevin, A
Silvi, B
Citation: F. Fuster et al., Topological analysis of the electron localization function (ELF) applied to the electrophilic aromatic substitution, J PHYS CH A, 104(4), 2000, pp. 852-858
Authors:
Fuster, F
Silvi, B
Citation: F. Fuster et B. Silvi, Determination of protonation sites in bases from topological rules, CHEM PHYS, 252(3), 2000, pp. 279-287
Authors:
Choukroun, R
Donnadieu, B
Zhao, JS
Cassoux, P
Lepetit, C
Silvi, B
Citation: R. Choukroun et al., Synthesis and characterization of [Cp2V(mu-eta(2):eta(4)-butadiyne)ZrCp ' 2] heterodimetallic complexes (Cp ' = C(5)H(4)t-Bu, C5H4Me). Formation mechanism and theoretical (ELF) evidence for the existence of planar tetracoordinate carbon (ptC), ORGANOMETAL, 19(10), 2000, pp. 1901-1911
Authors:
Fuster, F
Sevin, A
Silvi, B
Citation: F. Fuster et al., Determination of substitutional sites in heterocycles from the topologicalanalysis of the electron localization function (ELF), J COMPUT CH, 21(7), 2000, pp. 509-514
Authors:
Berges, J
Fuster, F
Jacquot, JP
Silvi, B
Houee-Levin, C
Citation: J. Berges et al., Influence of protonation on the stability of disulfide radicals, NUKLEONIKA, 45(1), 2000, pp. 23-29
Authors:
Fuster, F
Silvi, B
Berski, S
Latajka, Z
Citation: F. Fuster et al., Topological aspects of protonation and hydrogen bonding: the dihydrogen bond case, J MOL STRUC, 555, 2000, pp. 75-84
Authors:
Yaremko, AM
Silvi, B
Zelsmann, HR
Citation: Am. Yaremko et al., The low frequency vibrations of hydrogen bonded adipic acid crystals, J MOL STRUC, 520, 2000, pp. 125-130
Authors:
Beltran, A
Andres, J
Noury, S
Silvi, B
Citation: A. Beltran et al., Structure and bonding of chlorine oxides and peroxides: ClOx, ClOx- (x = 1-4), and Cl2Ox (x = 1-8), J PHYS CH A, 103(16), 1999, pp. 3078-3088
Authors:
Fourre, I
Silvi, B
Chaquin, P
Sevin, A
Citation: I. Fourre et al., Electron localization function comparative study of ground state, triplet state, radical anion, and cation in model carbonyl and imine compounds, J COMPUT CH, 20(9), 1999, pp. 897-910
Authors:
Llusar, R
Beltran, A
Andres, J
Noury, S
Silvi, B
Citation: R. Llusar et al., Topological analysis of electron density in depleted homopolar chemical bonds, J COMPUT CH, 20(14), 1999, pp. 1517-1526
Authors:
Joubert, L
Picard, G
Silvi, B
Fuster, F
Citation: L. Joubert et al., Electron localization function view of bonding in selected aluminum fluoride molecules, THEOCHEM, 463(1-2), 1999, pp. 75-80
Authors:
Noury, S
Krokidis, X
Fuster, F
Silvi, B
Citation: S. Noury et al., Computational tools for the electron localization function topological analysis, COMPUT CHEM, 23(6), 1999, pp. 597-604
Authors:
Krokidis, X
Vuilleumier, R
Borgis, D
Silvi, B
Citation: X. Krokidis et al., A topological analysis of the proton transfer in H5O2+, MOLEC PHYS, 96(2), 1999, pp. 265-273
Authors:
Yaremko, AM
Ostrovskii, DI
Ratajczak, H
Silvi, B
Citation: Am. Yaremko et al., Strong anharmonic effects and generation of anomalously broad bands of high frequency vibrations of molecular type crystals, J MOL STRUC, 483, 1999, pp. 665-673
Authors:
Berski, S
Silvi, B
Latajka, Z
Leszczynski, J
Citation: S. Berski et al., Bonding in hypohalous acids HOX (X=F, Cl, Br, and I) from the topological analysis of the electron localization function, J CHEM PHYS, 111(6), 1999, pp. 2542-2555