G. Ohanessian

发表

Structures and fragmentations of zinc(II) complexes of amino acids in the gas phase. I. Electrosprayed ions which are structurally different from their liquid phase precursors

Françoise Gilard, Y. Hoppilliard, G. Ohanessian, 2000 .

Formation and fragmentations of organometallic complexes involving aliphatic α-amino acids and transition metal cations : a plasma desorption mass spectrometry study

Y. Hoppilliard, G. Ohanessian, S. Bouchonnet, 1995 .

Modulation of the gas‐phase reactivity of W+ by carbonyl ligands: Activation of hydrocarbons by W(CO) x+ (x=1–4)

G. Ohanessian, P. Mourgues, 1995 .

Molecular complexes of small alkanes with cobalt(1

J. K. Perry, W. Goddard, J. Perry, 1993 .

Valence-bond concepts in transition metals: metal hydride diatomic cations

W. Goddard, G. Ohanessian, 1990 .

Inequivalence of equivalent bonds: Symmetry breaking in Co(CH3)2+

J. K. Perry, W. Goddard, J. Perry, 1992 .

Is the delocalized .pi. system of benzene a stable electronic system

Sason Shaik, Philippe C. Hiberty, Gilles Ohanessian, 1985 .

Complexation of Glycine by Atomic Metal Cations in the Gas Phase

Françoise Gilard, Y. Hoppilliard, G. Ohanessian, 2001 .

Relationship between conformational dynamics and electron transfer in a desolvated peptide. Part II. Temperature dependence.

G. Ohanessian, J. Parks, David Semrouni, 2013, The journal of physical chemistry. B.

Free Energy Simulations of a GTPase: GTP and GDP Binding to Archaeal Initiation Factor 2

T. Simonson, Priyadarshi Satpati, G. Ohanessian, 2011, The journal of physical chemistry. B.

Finite Temperature Infrared Spectra from Polarizable Molecular Dynamics Simulations.

J. Dognon, G. Ohanessian, David Semrouni, 2014, Journal of chemical theory and computation.

Structure of singly hydrated, protonated phospho-tyrosine

J. Martens, P. Maître, J. Bakker, 2011 .

Vibrational signatures of sodiated oligopeptides (GG–Na+, GGG–Na+, AA–Na+ and AAA–Na+) in the gas phase

J. Lemaire, O. Balaj, G. Ohanessian, 2008 .

The sodium ion affinities of asparagine, glutamine, histidine and arginine

Ping Wang, C. Wesdemiotis, G. Ohanessian, 2008 .

The sodium ion affinities of cytosine and its methylated derivatives.

C. Wesdemiotis, G. Ohanessian, M. J. Polce, 2008, Journal of mass spectrometry : JMS.

The Na+ affinities of α-amino acids: side-chain substituent effects

C. Wesdemiotis, G. Ohanessian, M. Kish, 2003 .

Alkali metal ion binding to amino acids versus their methyl esters: affinity trends and structural changes in the gas phase.

C. Wesdemiotis, G. Ohanessian, B. Cerda, 2002, Chemistry.

Na+Binding to Cyclic and Linear Dipeptides. Bond Energies, Entropies of Na+Complexation, and Attachment Sites from the Dissociation of Na+-Bound Heterodimers and ab Initio Calculations

C. Wesdemiotis, G. Ohanessian, B. Cerda, 1998 .

Infrared Spectra of Deprotonated Dicarboxylic Acids: IRMPD Spectroscopy and Empirical Valence-Bond Modeling.

F. Calvo, G. Ohanessian, C. Clavaguéra, 2019, Chemphyschem : a European journal of chemical physics and physical chemistry.

Empirical Valence-Bond Models Based on Polarizable Force Fields for Infrared Spectroscopy

F. Calvo, G. Ohanessian, C. Clavaguéra, 2017 .

Comparison of minimal and extended basis sets in terms of resonant formulas. Application to 1,3 dipoles

P. Hiberty, G. Ohanessian, 1982 .

Structures and fragmentations of zinc(II) complexes of amino acids in the gas phase. II. Decompositions of glycine–Zn(II) complexes

Françoise Gilard, G. Ohanessian, Y. Hoppilliard, 2001 .

Electrolytic electrospray ionization mass spectrometry of quaterthiophene-bridged bisporphyrins: beyond the identification tool.

Françoise Gilard, E. Levillain, F. Odobel, 2005, Journal of mass spectrometry : JMS.

Structures and fragmentations of zinc(II) complexes of amino acids in the gas phase. III. Rearrangement versus desolvation in the electrospray formation of the glycine-zinc complex

Françoise Gilard, Y. Hoppilliard, G. Ohanessian, 2001 .

Analysis of correlation consistent wavefunctions: H3XH bond energies (X=C, Si and Ge)

P. Maître, G. Ohanessian, 1992 .

Strategy for Modeling the Infrared Spectra of Ion-Containing Water Drops.

G. Ohanessian, C. Clavaguéra, F. Thaunay, 2018, The journal of physical chemistry. A.

Dynamics of ions in a water drop using the AMOEBA polarizable force field

G. Ohanessian, C. Clavaguéra, F. Thaunay, 2017 .

Vibrational mode assignment of finite temperature infrared spectra using the AMOEBA polarizable force field.

J. Dognon, G. Ohanessian, C. Clavaguéra, 2015, Physical chemistry chemical physics : PCCP.

Quantitative valence bond computations of curve-crossing diagrams for model atom exchange reactions

P. Hiberty, S. Shaik, P. Maître, 1990 .

Why is SiH5- a stable intermediate while CH5- is a transition state? A quantitative curve crossing valence bond study

P. Hiberty, S. Shaik, G. Ohanessian, 1990 .

Quantitative valence bond computation of a curve crossing diagram for a model SN2 reaction: H- + CH3H' .fwdarw. HCH3 + H'-

P. Hiberty, S. Shaik, G. Ohanessian, 1989 .

Understanding molecular orbital wave functions in terms of resonance structures

P. Karafiloglou, G. Ohanessian, 1991 .

Hypercoordinated HXn+1 radicals for first- and second-row atoms: a valence bond analysis

S. Shaik, O. Eisenstein, G. Ohanessian, 1989 .

Mechanism and Energetics for Dehydrogenation of Methane by Gaseous Iridium Ions

J. K. Perry, W. Goddard, G. Ohanessian, 1994 .

Theoretical study of transition-metal hydrides. 5. Hafnium to mercury (HfH+ through HgH+), barium and lanthanum (BaH+ and LaH+)

W. Goddard, G. Ohanessian, M. J. Brusich, 1990 .

The .pi.-distortive propensities in benzene and the allyl radical. A reply to a criticism

P. Hiberty, S. Shaik, G. Ohanessian, 1986 .

The valence-bond description of conjugated molecules. 40. Theoretical study of the Mills-Nixon effect, a phenomenon of .pi.-bond localization in small ring annelated aromatics

P. Hiberty, F. Delbecq, G. Ohanessian, 1985 .

Valence-bond description of conjugated molecules. III: The through-resonance concept in para-substituted nitrobenzenes

P. Hiberty, G. Ohanessian, 1984 .

The delocalization of π electronic systems as a destabilizing constraint imposed by the σ frame. Allyl, benzene, cyclobutadiene and related heteroannulenes

P. Hiberty, S. Shaik, J. Flament, 1993 .

The π-Distortive Propensities in Benzene and the Allyl Radical. A Reply to a Criticism.

P. Hiberty, S. Shaik, G. Ohanessian, 1987 .

[Nε-(γ-glutamyl) lysine] as a potential biomarker in neurological diseases : New detection method and fragmentation pathways

P. Djian, G. Rest, P. Dansette, 2008 .

Theoretical Study of Tungsten Carbonyl Complexes (n = 1−6): Structures, Binding Energies, and Implications for Gas Phase Reactivities

P. Maître, G. Ohanessian, Heinz H. Büker, 1997 .

Is the Delocalized π-System of Benzene a Stable Electronic System?

P. Hiberty, S. Shaik, G. Ohanessian, 1986 .

Interaction of MALDI matrix molecules with Na+ in the gas phase

G. Ohanessian, 2002 .

Allylic resonance is forced upon the π-system by the σ-framework

P. Hiberty, S. Shaik, G. Ohanessian, 1985 .

Probing the mechanisms and dynamics of gas phase hydrogen-deuterium exchange reactions of sodiated polyglycines.

G. Ohanessian, T. Mcmahon, T. McMahon, 2015, Physical chemistry chemical physics : PCCP.

Interaction of neutral and zwitterionic glycine with Zn2+ in gas phase: ab initio and SIBFA molecular mechanics calculations

N. Gresh, Françoise Gilard, G. Ohanessian, 2000, J. Comput. Chem..

Vibrational signature of charge solvation vs salt bridge isomers of sodiated amino acids in the gas phase.

J. Lemaire, P. Maître, G. Ohanessian, 2004, Journal of the American Chemical Society.

Complexation of small organic molecules by Cu

G. Ohanessian, S. Hoyau, 1997 .

Theoretical Study of Transition-Metal Hydrides. Part 5. HfH+ Through HgH+, BaH+, and LaH+

W. Goddard, G. Ohanessian, M. J. Brusich, 1990 .

Thermodynamic stability versus kinetic lability of ZnS4 core.

Gilles Frison, Gilles Ohanessian, G. Frison, 2010, Chemistry, an Asian journal.

Reactivity of polynuclear zinc‐thiolate sites

Gilles Frison, Gilles Ohanessian, G. Frison, 2011 .

The alkylation mechanism of zinc-bound thiolates depends upon the zinc ligands.

Gilles Frison, Gilles Ohanessian, G. Frison, 2008, Inorganic chemistry.

Interaction of Alkali Metal Cations (Li+–Cs+) with Glycine in the Gas Phase: A Theoretical Study

G. Ohanessian, S. Hoyau, 1998 .

A Quantitative Basis for a Scale of Na+ Affinities of Organic and Small Biological Molecules in the Gas Phase

Gilles Ohanessian, K. Norrman, G. Ohanessian, 1999 .

Hydration of the sulfate dianion in size-selected water clusters: From SO42−(H2O)9 to SO42−(H2O)13

E. Williams, G. Ohanessian, C. Clavaguéra, 2017 .

Hydration of the sulfate dianion in cold nanodroplets: SO4(2-)(H2O)12 and SO4(2-)(H2O)13.

G. Ohanessian, C. Clavaguéra, F. Thaunay, 2015, Physical chemistry chemical physics : PCCP.

Accuracy of density functionals in the description of dispersion interactions and IR spectra of phosphates and phosphorylated compounds

G. Ohanessian, C. Clavaguéra, Ashwani Sharma, 2014, Journal of Molecular Modeling.

Theoretical insight into the coordination number of hydrated $$\mathrm{Zn}^{2+}$$Zn2+ from gas phase to solution

G. Ohanessian, C. Clavaguéra, Chandramohan Jana, 2016 .

Structure of sodiated polyglycines.

O. Balaj, G. Ohanessian, V. Steinmetz, 2012, Chemistry.

Structure of sodiated octa-glycine: IRMPD spectroscopy and molecular modeling

F. Calvo, O. Balaj, G. Ohanessian, 2010, Journal of the American Society for Mass Spectrometry.

Is delocalization a driving force in chemistry? First- and second-row heteroannulenes

P. Hiberty, S. Shaik, J. Flament, 1988 .

Nucleophilicity of zinc-bound thiolates

G. Frison, G. Ohanessian, D. Picot, 2009 .

Structure and thermodynamics of Mg:phosphate interactions in water: a simulation study.

T. Simonson, Manjeet Kumar, G. Ohanessian, 2015, Chemphyschem : a European journal of chemical physics and physical chemistry.

IRMPD spectroscopy of a protonated, phosphorylated dipeptide.

D. Scuderi, G. Ohanessian, C. Clavaguéra, 2008, Chemphyschem : a European journal of chemical physics and physical chemistry.

ION-NEUTRAL COMPLEXES OF PROTONATED ALKYLBENZENES : EXPERIMENTAL AND THEORETICAL STUDIES

P. Millié, V. Brenner, G. Ohanessian, 1995 .

[C6H6iso-C3H7+] and [C6H7+C3H6] ion-molecule complexes: theoretical calculations

P. Millié, V. Brenner, G. Ohanessian, 1993 .

Structures and IR spectra of the Gramicidin S peptide: pushing the quest for low-energy conformations.

K. Joshi, G. Ohanessian, David Semrouni, 2012, The journal of physical chemistry. B.

Fragmentation mechanisms of α-amino acids protonated under electrospray ionization: a collisional activation and ab initio theoretical study

Gilles Ohanessian, Françoise Gilard, G. Ohanessian, 2000 .

Globule to Helix Transition in Sodiated Polyalanines

J. Martens, I. Compagnon, G. Ohanessian, 2012 .

Interaction modes and absolute affinities of α-amino acids for Mn2+: a comprehensive picture.

M. Davari, K. Zare, G. Ohanessian, 2013, Chemphyschem : a European journal of chemical physics and physical chemistry.

Complexation of glycine by manganese (II) in the gas phase: A theoretical study

M. Davari, G. Ohanessian, M. Zahedi, 2010 .

Fourier transform ion cyclotron resonance study of the dehydrogenative polymerization of allene and propyne induced by W+ in the gas phase

G. Ohanessian, A. Ferhati, G. Sozzi, 1993 .

Vibrational spectroscopy of deprotonated peptides containing an acidic side chain

G. Ohanessian, C. Clavaguéra, E. Nicol, 2019, International Journal of Mass Spectrometry.

Energetics and Structure of Complexes of Al+ with Small Organic Molecules in the Gas Phase

G. Koyanagi, F. Bouchard, V. Brenner, 1997 .

The sodium ion affinities of simple Di-, Tri-, and tetrapeptides

Ping Wang, Gilles Ohanessian, C. Wesdemiotis, 2007, Journal of the American Society for Mass Spectrometry.

The Sodium Ion Affinity of Glycylglycine

C. Wesdemiotis, G. Ohanessian, Michelle M. Kish, 2004 .

Structural characterization by IRMPD spectroscopy and DFT calculations of deprotonated phosphorylated amino acids in the gas phase.

J. Lemaire, P. Maître, D. Scuderi, 2009, Chemphyschem : a European journal of chemical physics and physical chemistry.

Guiding the synthesis of pentazole derivatives and their mono- and di-oxides with quantum modeling

G. Frison, G. Ohanessian, Guy Michel Jacob, 2013 .

Molecular Dynamics and Room Temperature Vibrational Properties of Deprotonated Phosphorylated Serine.

P. Maître, G. Ohanessian, A. Cimas, 2009, Journal of chemical theory and computation.

Activation of Silane by W + in the Gas Phase: Fourier-Transform Ion Cyclotron Resonance and ab Initio Theoretical Studies

G. Ohanessian, T. Mcmahon, T. McMahon, 1996 .

Unimolecular and Bimolecular Reactions of the .beta.-Distonic Ion CH3CH2OH+CH2CH2.bul.: An Experimental and Theoretical Study

V. Brenner, G. Ohanessian, P. Mourgues, 1995 .

Is delocalization a driving force in chemistry? Benzene, allyl radical, cyclobutadiene, and their isoelectronic species

Sason Shaik, Philippe C. Hiberty, Gilles Ohanessian, 1987 .

Cu(II)-Catalyzed Reactions in Ternary [Cu(AA)(AA – H)]+ Complexes (AA = Gly, Ala, Val, Leu, Ile, t-Leu, Phe)

C. Wesdemiotis, G. Ohanessian, Ping Wang, 2009, European journal of mass spectrometry.

Absolute Affinities of α-Amino Acids for Cu+ in the Gas Phase. A Theoretical Study

Gilles Ohanessian, G. Ohanessian, Sophie Hoyau, 1997 .

Assessment of density functionals for predicting the infrared spectrum of sodiated octa-glycine

J. Dognon, G. Ohanessian, David Semrouni, 2010 .

Structural, energetic and dynamical properties of sodiated oligoglycines: relevance of a polarizable force field.

G. Ohanessian, David Semrouni, C. Clavaguéra, 2010, Physical chemistry chemical physics : PCCP.

The low energy tautomers and conformers of the dipeptides HisGly and GlyHis and of their sodium ion complexes in the gas phase.

Gilles Ohanessian, G. Ohanessian, Catherine Kapota, 2005, Physical chemistry chemical physics : PCCP.

A comparative study of semiempirical, ab initio, and DFT methods in evaluating metal–ligand bond strength, proton affinity, and interactions between first and second shell ligands in Zn‐biomimetic complexes

Gilles Frison, Gilles Ohanessian, G. Frison, 2008, J. Comput. Chem..

The valence bond description of conjugated molecules i.SCFlevel

P. Hiberty, G. Ohanessian, 1985 .

Theoretical insight into the coordination number of hydrated from gas phase to solution

G. Ohanessian, C. Clavaguéra, Chandramohan Jana, 2016 .

Internal proton transfer leading to stable zwitterionic structures in a neutral isolated peptide.

J. Oomens, G. Meijer, G. von Helden, 2010, Angewandte Chemie.

Structures and fragmentations of zinc(II) complexes of amino acids in the gas phase

Françoise Gilard, Y. Hoppilliard, G. Ohanessian, 2003 .

The valence bond description of conjugated molecules. II: A very simple method to approximate the structural weights of a fully correlated valence bond wavefunction

P. Hiberty, G. Ohanessian, 1985 .

Metal-histidine-glutamate as a regulator of enzymatic cycles: a case study of carbonic anhydrase.

G. Frison, G. Ohanessian, 2009, Physical chemistry chemical physics : PCCP.

Comparison between α- and β-carbonic anhydrases: can Zn(His)3(H2O) and Zn(His)(Cys)2(H2O) sites lead to equivalent enzymes?

G. Frison, G. Ohanessian, Florent Pannetier, 2011, Dalton transactions.

Thermodynamic stability versus kinetic lability of ZnS4 core.

G. Frison, G. Ohanessian, D. Picot, 2010, Chemistry, an Asian journal.

Activation of Hydrocarbons by W + in the Gas Phase

G. Ohanessian, P. Mourgues, T. McMahon, 1997 .

A comparative study of semiempirical , ab initio and DFT methods in evaluating metal-ligand bond strength , proton affinity and interactions between 1 st and 2 nd shell ligands in Zn-biomimetic complexes

G. Frison, G. Ohanessian, 2010 .

Vibrational signatures of protonated, phosphorylated amino acids in the gas phase.

P. Maître, D. Scuderi, G. Ohanessian, 2008, Journal of the American Chemical Society.