Bernard Silvi
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Engineering Computer Science
Bernard Silvi's Degrees
- PhD Computer Science Stanford University
- Masters Electrical Engineering University of California, Berkeley
- Bachelors Mathematics University of California, Berkeley
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(Suggest an Edit or Addition)Bernard Silvi's Published Works
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Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author
Published Works
- Classification of chemical bonds based on topological analysis of electron localization functions (1994) (2671)
- Computational Tools for the Electron Localization Function Topological Analysis (1999) (632)
- Theoretical evaluation of electron delocalization in aromatic molecules by means of atoms in molecules (AIM) and electron localization function (ELF) topological approaches. (2005) (558)
- Topological analysis of the electron localization function applied to delocalized bonds (1996) (449)
- CHARACTERIZATION OF ELEMENTARY CHEMICAL PROCESSES BY CATASTROPHE THEORY (1997) (272)
- The synaptic order: a key concept to understand multicenter bonding (2002) (225)
- Charge-shift bonding--a class of electron-pair bonds that emerges from valence bond theory and is supported by the electron localization function approach. (2005) (184)
- Does the topological approach characterize the hydrogen bond? (2000) (168)
- Understanding reaction mechanisms in organic chemistry from catastrophe theory applied to the electron localization function topology. (2008) (149)
- Extended gaussian-type valence basis sets for calculations involving non-empirical core pseudopotentials (1988) (145)
- Direct Space Representation of the Metallic Bond (2000) (145)
- Mixed sites and promoter segregation: A DFT study of the manifestation of Le Chatelier's principle for the Co(Ni)MoS active phase in reaction conditions (2008) (141)
- Topological Analysis of the Electron Localization Function (ELF) Applied to the Electrophilic Aromatic Substitution (2000) (116)
- The Spin-Pair Compositions as Local Indicators of the Nature of the Bonding (2003) (112)
- Analysis of the delocalization in the topological theory of chemical bond (1998) (112)
- The Topological Analysis of the Electron Localization Function. A Key for a Position Space Representation of Chemical Bonds (2005) (108)
- Electron localization function at the correlated level. (2006) (108)
- Electron Localization Function at the Correlated Level: A Natural Orbital Formulation. (2010) (102)
- How topological partitions of the electron distributions reveal delocalization (2004) (101)
- New findings on the Diels-Alder reactions. An analysis based on the bonding evolution theory. (2006) (100)
- Chemical bonding in hypervalent molecules: is the octet rule relevant? (2002) (98)
- Coupling quantum interpretative techniques: another look at chemical mechanisms in organic reactions. (2012) (93)
- What Can Tell the Topological Analysis of ELF on Hydrogen Bonding? (2005) (86)
- Topological analysis of electron density in depleted homopolar chemical bonds (1999) (82)
- Six questions on topology in theoretical chemistry (2015) (81)
- Describing the Molecular Mechanism of Organic Reactions by Using Topological Analysis of Electronic Localization Function (2011) (76)
- Understanding the molecular mechanism of the 1,3-dipolar cycloaddition between fulminic acid and acetylene in terms of the electron localization function and catastrophe theory. (2004) (74)
- Topological analysis of the metal-metal bond: A tutorial review (2017) (73)
- Understanding the kinetic solvent effects on the 1,3‐dipolar cycloaddition of benzonitrile N‐oxide: a DFT study (2011) (73)
- Pseudopotential periodic hartree-fock study of rutile TiO2 (1991) (71)
- Nine questions on energy decomposition analysis (2019) (70)
- Structure of water-hydrochloric acid complexes in argon and nitrogen matrices from infrared spectra (1977) (68)
- Applications of Topological Methods in Molecular Chemistry (2016) (66)
- The electronic structure of α-quartz: A periodic Hartree-Fock calculation (1987) (65)
- The ELF Perspective of chemical bonding (2014) (65)
- Rigorous characterization of oxygen vacancies in ionic oxides (2002) (63)
- A topological analysis of the proton transfer in H5O2 (1999) (62)
- How Malonaldehyde Bonds Change during Proton Transfer (1998) (62)
- ELF Analysis of Out-of-Plane Aromaticity and In-Plane Homoaromaticity in Carbo[N]annulenes and [N]Pericyclynes (2003) (61)
- A DFT study of the origin of the HDS/HydO selectivity on Co(Ni)MoS active phases (2008) (59)
- Structure and Bonding of Chlorine Oxides and Peroxides: ClOx, ClOx- (x = 1−4), and Cl2Ox (x = 1−8) (1999) (56)
- Topological Analysis of Multiple Metal−Metal Bonds in Dimers of the M2(Formamidinate)4 Type with M = Nb, Mo, Tc, Ru, Rh, and Pd (2001) (56)
- What can be learnt on biologically relevant systems from the topological analysis of the electron localization function (2008) (53)
- Understanding selectivity of hard and soft metal cations within biological systems using the subvalence concept. I. Application to blood coagulation: direct cation-protein electronic effects vs. indirect interactions through water networks. (2010) (52)
- Structure and stability of M-Co, M = first-transition-row metal: An application of density functional theory and topological approaches (2003) (51)
- An electron localization function study of the geometry of d(0) molecules of the period 4 metals Ca to Mn. (2004) (49)
- The Mysticism of Pericyclic Reactions: A Contemporary Rationalisation of Organic Reactivity Based on Electron Density Analysis (2018) (47)
- Critical analysis of the calculated frequency shifts of hydrogen-bonded complexes (1999) (45)
- Determination of protonation sites in bases from topological rules (2000) (45)
- The in-equivalence of the HCl molecules in (HCl) 2 : An SCF ab initio calculation. (1982) (45)
- A theoretical study on the structure, energetics and bonding of VOx+ and VOx (x=1–4) systems (2001) (43)
- What can we learn from two-center three-electron bonding with the topological analysis of ELF? (2007) (43)
- Topological Analysis of the Reaction of Mn+ (7S,5S) with H2O, NH3, and CH4 Molecules (2003) (42)
- TOPOLOGICAL CHARACTERIZATION OF THE ISOMERIZATION MECHANISMS IN XNO (X = H, CL) (1998) (41)
- 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 (2001) (40)
- Topological analysis of the reaction of uranium ions (U+, U2+) with N2O in the gas phase. (2008) (39)
- Dipole moment of the water molecule in the condensed phase: a periodic Hartree-Fock estimate (1995) (38)
- Comparative study of the bonding in the first series of transition metal 1:1 complexes M-L (M = Sc, ..., Cu; L = CO, N(2), C(2)H(2), CN(-), NH(3), H(2)O, and F(-)). (2005) (38)
- Cartesian expressions for electric multipole moment operators (1982) (37)
- Topological study, using a coupled ELF and catastrophe theory technique, of electron transfer in the Li+Cl2 system (1998) (37)
- Curly arrows meet electron density transfers in chemical reaction mechanisms: from electron localization function (ELF) analysis to valence-shell electron-pair repulsion (VSEPR) inspired interpretation. (2016) (37)
- An electron localization function and catastrophe theory analysis on the molecular mechanism of gas-phase identity SN2 reactions (2008) (36)
- New insights on the bridge carbon–carbon bond in propellanes: A theoretical study based on the analysis of the electron localization function (2007) (36)
- Bonding in hypohalous acids HOX (X=F, Cl, Br, and I) from the topological analysis of the electron localization function (1999) (34)
- The missing entry in the agostic-anagostic series: Rh(I)-η(1)-C interactions in P(CH)P pincer complexes. (2015) (34)
- Electrostatic interactions in three‐dimensional solids. Self‐consistent Madelung potential (SCMP) approach (1987) (32)
- The Nature Of The Chemical Bond In Di- And Polynuclear Metal Cluster Complexes As Depicted By The Analysis Of The Electron Localization Function (2005) (32)
- Topological analysis of the bonds in incomplete cuboidal [Mo3S4] clusters (2002) (31)
- Reactivity of sodium and potassium with carbon monoxide in solid argon: an infrared and ab initio study (1988) (31)
- Topological aspects of protonation and hydrogen bonding: the dihydrogen bond case (2000) (30)
- Is delocalization a prerequisite for stability of ring systems? A case study of some inorganic rings. (2010) (30)
- Synthesis and Characterization of [Cp2V(μ-η2:η4-butadiyne)ZrCp‘2] Heterodimetallic Complexes (Cp‘ = C5H4t-Bu, C5H4Me). Formation Mechanism and Theoretical (ELF) Evidence for the Existence of Planar Tetracoordinate Carbon (ptC) (2000) (30)
- Charge Density Analysis of Triplet and Broken Symmetry States Relevant to Magnetic Coupling in Systems with Localized Spin Moments (2001) (29)
- Electron localization function comparative study of ground state, triplet state, radical anion, and cation in model carbonyl and imine compounds (1999) (29)
- Convergency of some properties of electrostatically interacting molecules from accurate CI multipole function calculations (1980) (29)
- Structure and bonding of hydrogen halide complexes: An ab initio calculation of the 1:1 species (1989) (28)
- Electron localization function studies of the nature of binding in neutral rare-gas containing hydrides: HKrCN, HKrNC, HXeCN, HXeNC, HXeOH, and HXeSH (2001) (27)
- A theoretical investigation of the electronic structure and some thermodynamic properties of β-PbF2 (1988) (27)
- Structure and vibrational properties of water hydrogen halide complexes (1991) (26)
- Activation of C-H and B-H bonds through agostic bonding: an ELF/QTAIM insight. (2015) (26)
- Topological analysis of the metal-support interaction: the case of Pd atoms on oxide surfaces (2004) (25)
- A rare example of a krypton difluoride coordination compound: [BrOF2][AsF6] x 2 KrF2. (2010) (25)
- A Quantum Chemical Interpretation of Compressibility in Solids. (2009) (25)
- Interaction between lithium and carbon monoxide. 2. A quantum chemical study of the low stoichiometry complexes (1986) (25)
- Ab initio study of (H2O)1,2·HCl: accurate energetic and frequency shift of HCl (2003) (25)
- Key properties of monohalogen substituted phenols: interpretation in terms of the electron localization function (2002) (25)
- Ab initio study of the structure, cooperativity, and vibrational properties of the H2O: (HF)2 hydrogen bonded complex (1992) (24)
- Useful applications of the electron localization function in high-pressure crystal chemistry (2008) (24)
- The nature of the chemical bonding in the D3h and C2v isomers of Fe3(CO)12 (2003) (24)
- Conformational study of allyl fluoride, allyl alcohol and allyl amine through the matrix-isolation technique (1973) (24)
- Solvent effects on the structure and the electronic properties of simple molecules. A MINDO/3-SCRF-MO study (1980) (23)
- Electronic fluxes during diels‐alder reactions involving 1,2‐benzoquinones: mechanistic insights from the analysis of electron localization function and catastrophe theory (2012) (23)
- Modelling of minerals and silicated materials (2002) (23)
- Structure and Bonding of Bulk and Surface .theta.-Alumina from Periodic Hartree-Fock Calculations (1994) (23)
- Ionicity in silica (1991) (22)
- Theoretical investigations of the electronic properties of vanadium oxides. 1. Pseudopotential periodic Hartree-Fock study of vanadium pentoxide crystal lattice (1993) (22)
- Atoms and bonds in molecules and chemical explanations (2014) (21)
- Bonding, Electronic, and Vibrational Analysis of the Al−C2H4 Complex Using Density Functional Theory and Topological Method (ELF) (1996) (21)
- Topological approach in the structural and bonding characterization of lanthanide trihalide molecules (2000) (21)
- Computation of Local and Global Properties of the Electron Localization Function Topology in Crystals. (2009) (20)
- Why are perturbations of HCl by N2 and CO so different?: Part II. Matrix isolation experiments (1983) (19)
- Determination of substitutional sites in heterocycles from the topological analysis of the electron localization function (ELF) (2000) (19)
- Non-empirical pseudopotentials in the HF-LCAO approach to crystalline solids: comparison to all-electron results (1989) (19)
- Energetic and topological analyses of the oxidation reaction between Mon (n = 1, 2) and N2O (2005) (19)
- Periodic pseudopotential Hartree–Fock study of α‐quartz structure SiO2 and GeO2 (1990) (19)
- The carbon dioxide–hydrogen chloride complexes. A matrix isolation study and an ab initio calculation on the 1–1 species (1984) (19)
- Influence of protonation on the stability of disulfide radicals (2000) (18)
- Curly arrows, electron flow, and reaction mechanisms from the perspective of the bonding evolution theory. (2017) (18)
- Understanding reaction mechanisms in organic chemistry from catastrophe theory: ozone addition on benzene. (2010) (18)
- Reinvestigation of the Raman spectra of dihydrogen trapped in rare gas solids. I. H2, HD, and D2 monomeric species (1989) (18)
- Periodic Hartree-Fock study of minerals; hexacoordinated SiO 2 and GeO 2 polymorphs (1994) (17)
- 9.07 – Electron Density Analysis (2013) (17)
- Combined theoretical and experimental analysis of the bonding in the heterobimetallic cubane-type Mo(3)NiS(4) and Mo(3)CuS(4) core clusters. (2007) (17)
- On the Mulliken approximation of multicentre integrals (1986) (17)
- On the behaviour of the HCl molecules in the dimer (1978) (17)
- Angular dependence of Gaussian‐Lobe orbitals. II. Set of axial Gaussian‐Lobe orbitals (1978) (16)
- XeF(2) coordination to a halogen center; Raman spectra (n = 1, 2) and X-ray crystal structures (n = 2) of [BrOF(2)][AsF(6)].nXeF(2) and [XOF(2)][AsF(6)] (X = Cl, Br). (2010) (16)
- Comparative study of spinel compounds: A pseudopotential periodic Hartree‐Fock calculation of Mg2SiO4, Mg2GeO4, Al2MgO4, and Ga2MgO4 (1991) (16)
- Carbolithiation of chloro-substituted alkynes: a new access to vinyl carbenoids. (2014) (15)
- Hydrogen bonding and delocalization in the ELF analysis approach. (2016) (15)
- Calculation of electronic affinity and vertical detachment energy of the water dimer complex using the density functional theory (1998) (14)
- Theoretical strategies toward stabilization of singlet remote N‐heterocyclic carbenes (2016) (14)
- Angular dependence of Gaussian-Lobe orbitals. I. Analysis of standard p- and d-orbitals (1978) (14)
- Strong anharmonic effects and generation of anomalously broad bands of high frequency vibrations of molecular type crystals (1999) (13)
- Properties of monomers in dimers, an analysis of dimerization effect: Ab initio calculations on HClN2 and HClCO2 complexes (1986) (13)
- Theoretical study of phenol and 2-aminophenol docking at a model of the tyrosinase active site (2003) (13)
- Topological Characterization of Three-Electron-Bonded Radical Anions (2002) (12)
- The Nature of Silicon-oxygen Bonds in Silica Polymorphs (1997) (12)
- Topological Analysis of the Electron Localization Function: A Help for Understanding the Complex Structure of Cryolitic Melts (1999) (12)
- Chemical Bonds in Minerals: Topological Analysis of the Electron Localization Function (1994) (11)
- What can Tell Topological Approaches on the Bonding in Transition Metal Compounds (2003) (11)
- Pseudopotential periodic hartree-fock investigation of potassium dihydrogen phosphate (1993) (11)
- Quantifying the Donor−Acceptor Properties of Carbon Monoxide and Its Carbo-mer Using ELF Analysis (2008) (11)
- Pseudopotential periodic Hartree-Fock study of the cristobalite to stishovite phase transition (1992) (11)
- Calculation of the spectral transition frequencies of matrix-isolated hydrogen, deuterium, and hydrogen deuteride impurities in solid krypton and xenon under pressure (1987) (11)
- How the topological analysis of the electron localization function accounts for the inductive effect (2007) (11)
- Periodic Hartree—Fock calculations involving core pseudopotentials (1988) (11)
- Pseudopotential Periodic Hartree‐Fock Study of the Cristobalite Phases of Silica and Germanium Dioxide (1992) (10)
- Ab initio study of the infrared photoconversion in the water-hydrogen iodide system (1991) (10)
- Periodic Hartree-Fock study of minerals: Tetracoordinated silica polymorphs (1991) (10)
- Angular dependence of Gaussian‐Lobe orbitals. III. Polyhedric lobe edifices (1978) (10)
- Van der Waals coefficients for molecules adsorbed on metal surfaces (1988) (10)
- N, P, and As ylides and aza- and arsa-Wittig reactions from topological analyses of electron density. (2011) (10)
- Topological Analysis of the Interactions between Organic Molecules and Co(Ni)MoS Catalytic Active Phases. (2009) (9)
- A topological analysis of the proton transfer in the HF- and HCl-(OH) - interactions (2004) (9)
- On the Bonding of Selenocyanates and Isoselenocyanates and Their Protonated Derivatives. (2008) (9)
- Periodic Hartree-Fock study of B1 ⇌ B2 reactions: phase transition in CaO (1992) (9)
- Bases for Understanding Polymerization under Pressure: The Practical Case of CO2. (2009) (9)
- Coupled Hartree-Fock method for the calculation of Cauchy moments for atomic and molecular dynamic polarizabilities (1984) (9)
- Energetic and topological analysis of the reaction of Mo and Mo2 with NH3, C2H2, and C2H4 molecules (2004) (9)
- Low temperature Raman spectrum of xenon diatoms (1987) (8)
- The Relevance of the ELF Topological Approach to the Lewis, Kossel, and Langmuir Bond Model (2015) (8)
- Pressure effect on electron localization in solid lithium (2017) (8)
- LCAO–MO–SCF calculation of the metal–oxygen bonding in the M2O2 series: M = Li, Na, and K (1981) (8)
- Carbon monoxide activation by alkali atoms: IR and ab initio results (1988) (8)
- Extended Gaussian-type valence basis sets for calculations involving nonempirical core pseudopotentials. II. PS-21 G Basis for Li to Ca and Ga to Kr atoms (1992) (7)
- Curly Arrows Meet Electron Density Transfers in Chemical Reaction Mechanisms: From Electron Localization Function (ELF) Analysis to Valence‐Shell Electron‐Pair Repulsion (VSEPR) Inspired Interpretation (2016) (7)
- Towards an unified chemical model of secondary bonding (2020) (7)
- PSEUDOPOTENTIAL PERIODIC HARTREE-FOCK STUDY OF K8IN11 AND RB8IN11 SYSTEMS (1995) (6)
- Bonding Changes Along Solid-Solid Phase Transitions Using the Electron Localization Function Approach (2011) (6)
- Why are monomeric lithium amides planar? (2001) (6)
- The Nature of Binding in HRgY Compounds (Rg = Ar, Kr, Xe; Y = F, Cl) Based on the Topological Analysis of the Electron Localisation Function (ELF) (2001) (6)
- Study of positronium hydride with a simple wavefunction: Application to the Stark effect of PsH (1998) (5)
- About Lewis’s heritage: chemical interpretations and quantum chemistry (2017) (5)
- Electron localization function view of bonding in selected aluminum fluoride molecules (1999) (5)
- DFT‐predicted structural, vibrational, and bonding properties of XSiO and X2SiO (X=F, Cl, or Br) molecules (1998) (5)
- Application of quantum chemistry to geochemistry and geophysics (1991) (5)
- Localization and Localizability in Quantum Organic Chemistry: Localized Orbitals and Localization Functions (2011) (5)
- Pseudopotential periodic Hartree-Fock study of Mg2SiO4 polymorphs: Olivine, modified spinel and spinel (1993) (5)
- PERIODIC HARTREE-FOCK CALCULATION OF THE A1G (TZ) AND EG (TX, TY) PHONON MODES IN ICE VIII (1997) (5)
- The low frequency vibrations of hydrogen bonded adipic acid crystals (2000) (4)
- An efficient method for the transformation of two electron integrals (1978) (4)
- On the determination of atom-atom potentials in silicates from quantum chemical calculations (1987) (4)
- Calculated frequency shifts of matrix isolated H2 in solid argon (1985) (4)
- The ELF Topological Analysis Contribution to Conceptual Chemistry and Phenomenological Models (2007) (4)
- Dispersion coefficients for atoms in different states (1983) (3)
- Correlation of frequency shifts with other properties in ice: a periodic Hartree—Fock study☆ (1994) (3)
- Periodic Hartree-Fock investigation of the stishovite CaCI2-like phase transition of silica (1993) (3)
- Effect of dimerization on Raman intensities: An SCF ab initio study of (HCl)2 (1985) (3)
- Interatomic distances in D2O VIII under high pressure from neutron scattering measurements to 10 GPa (2008) (2)
- Preface to the ChemBond issue (2001) (2)
- Chapter 4 Classification of control space parameters for topological studies of reactivity and chemical reactions (2007) (2)
- THEORETICAL STUDY OF CHLORINATION REACTION OF NITROBENZENE FROM DFT CALCULATIONS (2015) (2)
- Raman matrix isolation spectroscopy of hydrogen trapped in rare gases: from monomer to high aggregation states (1990) (2)
- Are the modified hybrid functional predictions reliable for the PH3–HF hydrogen bonded system? (2002) (1)
- Chemical Bonding and Molecular Geometry: from Lewis to Electron Densities: Ronald J. Gillespie, Paul L.A. Popelier (Eds.); Oxford University Press, Oxford, 2001, xiii+268 pages, ISBN 01951049-X, US$ 39.50 (2002) (1)
- A Rare Example of a Krypton Difluoride Coordination Compound: [BrOF2][AsF6]·2KrF2. (2010) (1)
- Molecular force field calculations by the MINDO/3 method (1979) (1)
- Electron Localization Function at the Correlated Level: A Natural Orbital Formulation. (2011) (1)
- Electron Densities: Population Analysis and Beyond (2017) (1)
- Electron group localization in atoms and molecules. (2022) (1)
- Topological Approaches of the Bonding in Conceptual Chemistry (2016) (1)
- Theoretical Evaluation of Electron Delocalization in Aromatic Molecules by Means of Atoms in Molecules (AIM) and Electron Localization Functional (ELF) Topological Approaches (2006) (1)
- Frequency shifts of vibrational and rotational states of dilute hydrogen, deuterium, and hydrogen monodeuteride molecular impurities in solid argon under pressure (1986) (0)
- Vibrational and rotational frequency shifts of dilute molecular hydrogen, molecular deuterium, and hydrogen deuteride impurities in solid argon, krypton, and xenon under pressure (1985) (0)
- THE NONEQUIVALENCE OF THE HYDROGEN CHLORIDE MOLECULES IN DIMERIC HYDROGEN CHLORIDE: AN SCF AB INITIO CALCULATION (1982) (0)
- Committees of the XLVIth EHPRG International Conference (2008) (0)
- SUBSTITUENT EFFECTS ON THE FORCE FIELDS OF SOME ALLYLIC DERIVATIVES- ALLYL BROMIDE, IODIDE AND CYANIDE (1976) (0)
- Pseudopotential Periodic Hartree-Fock Study of & In 11 and RbsInll Systems (1995) (0)
- Charge-Shift Electron-Pair Bonding - A Class of Electron-Pair Bonds Emerges from Valence Bond Theory and Supported by Electron Localization Function Approach (2005) (0)
- DFT-predicted structural, vibrational, and bonding properties of XSiO and X2SiO (X=F, Cl, or Br) molecules (1998) (0)
- Atoms and bonds in molecules and chemical explanations (2013) (0)
- ChemInform Abstract: Topological Analysis of the Bonds in Incomplete Cuboidal [Mo3S4] Clusters. (2002) (0)
- Committees of the XLVIth EHPRG International Conference (2009) (0)
- Calculated frequency shifts of matrix isolated molecular hydrogen in solid argon (1985) (0)
- Isomerism in secondary bonded complexes: Do structural rules apply? (2021) (0)
- Foreword for special issue of Molecular Physics in honour of Andreas Savin (2016) (0)
- Vibrational and rotational frequency shifts of dilute H2, D2, and HD impurities in solid Ar, Kr, and Xe under pressure (2009) (0)
- Topological study , using a coupled ELF and catastrophe theory technique , of electron transfer in the system ¤ Li + Cl 2 Xe (1998) (0)
- Ab initio Study of (H2O)1,2×HCl: Accurate Energetic and Frequency Shift of HCl. (2003) (0)
- Contents list. (2016) (0)
- J.G. Ángyán: a close friend (2018) (0)
- Discussion of the Change with Intermolecular Distance of the HX Dipole Moment Derivative in HX Aggregates from IR Intensities and Spectral Shifts, Comparison with MINDO/3 Semi‐Empirical Calculations (1978) (0)
- Interaction Between Lithium and Carbon Monoxide. Part 2. A Quantum Chemical Study of the Low Stoichiometry Complexes (1987) (0)
- Modelization of Reaction Mechanism of Chlorination of Aniline: A DFT (Density Functional Theory) Study (2015) (0)
- XeF2 Coordination to a Halogen Center; Raman Spectra (n = 1, 2) and X-Ray Crystal Structures (n = 2) of [BrOF2][AsF6]·nXeF2 and [XOF2][AsF6] (X: Cl, Br). (2010) (0)
- LCAO-MO-SCF CALCULATION OF THE METAL-OXYGEN BONDING IN THE M2O2 SERIES: M = LI, NA, AND K (1981) (0)
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