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NaNe potentials from a combined analysis of spectroscopic and scattering dataGROSSER, J; HOFFMANN, O; REBENTROST, F et al.The European physical journal. D, Atomic, molecular and optical physics (Print). 2010, Vol 56, Num 3, pp 335-339, issn 1434-6060, 5 p.Article

Effect of Transition State Aromaticity and Antiaromaticity on Intrinsic Barriers of Proton Transfers in Aromatic and Antiaromatic Heterocyclic Systems; An ab Initio StudyBERNASCONI, Claude F; WENZEL, Philip J.Journal of organic chemistry. 2010, Vol 75, Num 24, pp 8422-8434, issn 0022-3263, 13 p.Article

A Density Functional Theory (DFT) Study on Gas-Phase Proton Transfer Reactions of Derivatized and Underivatized Peptide Ions Generated by Matrix-Assisted Laser Desorption IonizationBRANCIA, Francesco L; STENER, Mauro; MAGISTRATO, Alessandra et al.Journal of the American Society for Mass Spectrometry. 2009, Vol 20, Num 7, pp 1327-1333, issn 1044-0305, 7 p.Article

G3 calculations of the proton affinity and ionization energy of dimethyl methylphosphonateNAMAZIAN, Mansoor; COOTE, Michelle L.Journal of chemical thermodynamics. 2008, Vol 40, Num 7, pp 1116-1119, issn 0021-9614, 4 p.Article

Cooperative 4-pyridone H-bonds with extraordinary stability. A DFT molecular orbital studyCHEN, Yung-Fou; DANNENBERG, J. J.Journal of the American Chemical Society. 2006, Vol 128, Num 25, pp 8100-8101, issn 0002-7863, 2 p.Article

The effect of carbonyl substitution on the strain energy of small ring compounds and their six-member ring reference compoundsBACH, Robert D; DMITRENKO, Olga.Journal of the American Chemical Society. 2006, Vol 128, Num 14, pp 4598-4611, issn 0002-7863, 14 p.Article

Validation of the M-C/H-C bond enthalpy relationship through application of density functional theoryCLOT, Eric; MEGRET, Claire; EISENSTEIN, Odile et al.Journal of the American Chemical Society. 2006, Vol 128, Num 25, pp 8350-8357, issn 0002-7863, 8 p.Article

Evaluation of the protonation thermochemistry obtained by the extended kinetic methodBOUCHOUX, Guy.Journal of mass spectrometry. 2006, Vol 41, Num 8, pp 1006-1013, issn 1076-5174, 8 p.Article

Revising the proton affinity scale of the naturally occurring α-amino acidsBLEIHOLDER, Christian; SUHAI, Sandor; PAIZS, Béla et al.Journal of the American Society for Mass Spectrometry. 2006, Vol 17, Num 9, pp 1275-1281, issn 1044-0305, 7 p.Article

Formation of hypervalent complexes of PhCCSiF3 with pyridine through intermolecular silicon...nitrogen interactionNAKASH, Moshe; GOLDVASER, Michael.Journal of the American Chemical Society. 2004, Vol 126, Num 11, pp 3436-3437, issn 0002-7863, 2 p.Article

Choice of coordination number in d10 complexes of group 11 metalsCARVAJAL, M. Angels; NOVOA, Juan J; ALVAREZ, Santiago et al.Journal of the American Chemical Society. 2004, Vol 126, Num 5, pp 1465-1477, issn 0002-7863, 13 p.Article

Revision of the dissociation energies of mercury chalcogenides: Unusual types of mercury bondingFILATOV, Michael; CREMER, Dieter.ChemPhysChem (Print). 2004, Vol 5, Num 10, pp 1547-1557, issn 1439-4235, 11 p.Article

Dissociation energies in polyatomic molecules and metal clustersFORTE, G; LOMBARDO, G. M; ANGILELLA, G. G. N et al.Recent research developments in molecular physics (Vol. 2 (2004)). Recent research developments in molecular physics. 2004, pp 1-8, isbn 81-7895-138-X, 8 p.Book Chapter

Gas phase dissociation energies of saturated AH.+nradical cations and AHn neutrals (A = Li-F, Na-Cl): Dehydrogenation, deprotonation, and formation of AH.+n-2 - H2 complexesGIL, Adria; BERTRAN, Joan; SODUPE, Mariona et al.Journal of the American Chemical Society. 2003, Vol 125, Num 24, pp 7461-7469, issn 0002-7863, 9 p.Article

Mass spectrometric determination of the dissociation energy of the AuMg diatomic moleculeBALDUCCI, G; CICCIOLI, A; GIGLI, G et al.Chemical physics letters. 2003, Vol 369, Num 3-4, pp 449-453, issn 0009-2614, 5 p.Article

N-Cα bond dissociation energies and kinetics in amide and peptide radicals. Is the dissociation a non-ergodic process?TURECEK, Frantisek.Journal of the American Chemical Society. 2003, Vol 125, Num 19, pp 5954-5963, issn 0002-7863, 10 p.Article

Proton affinity measurements using ion mobility spectrometryTABRIZCHI, Mahmoud; SHOOSHTARI, Saeed.Journal of chemical thermodynamics. 2003, Vol 35, Num 6, pp 863-870, issn 0021-9614, 8 p.Article

Theoretical calculations of carbon-oxygen bond dissociation enthalpies of peroxyl radicals formed in the autoxidation of lipidsPRATT, Derek A; MILLS, Jeremy H; PORTER, Ned A et al.Journal of the American Chemical Society. 2003, Vol 125, Num 19, pp 5801-5810, issn 0002-7863, 10 p.Article

Characterization of hydrogen bonds in the interactions between the hydroperoxyl radical and organic acidsPARREIRA, Renato L. T; GALEMBECK, Sérgio E.Journal of the American Chemical Society. 2003, Vol 125, Num 50, pp 15614-15622, issn 0002-7863, 9 p.Article

Homolytic bond dissociation energies associated with acyl radicals and electron demands of acyl groupsYONG FENG; HAO HUANG; LEI LIU et al.PCCP. Physical chemistry chemical physics (Print). 2003, Vol 5, Num 4, pp 685-690, issn 1463-9076, 6 p.Article

Chemical bonding in group III nitridesCOSTALES, Aurora; BLANCO, Miguel A; PENDAS, Angel Martin et al.Journal of the American Chemical Society. 2002, Vol 124, Num 15, pp 4116-4123, issn 0002-7863Article

Substituent effect and multisite protonation in the fragmentation of alkyl benzoatesDENEKAMP, Chagit; STANGER, Amnon.Journal of mass spectrometry. 2002, Vol 37, Num 3, pp 336-342, issn 1076-5174Article

The short N-F bond in N2F+ and how Pauli repulsion influences bond lengths. Theoretical study of N2X+, NF3X+, and NH3X+ (X = F, H)BICKELHAUPT, F. Matthias; DEKOCK, Roger L; BAERENDS, Evert Jan et al.Journal of the American Chemical Society. 2002, Vol 124, Num 7, pp 1500-1505, issn 0002-7863Article

Remote substituent effects on bond dissociation energies of para-substituted aromatic silanesCHENG, Yu-Hui; XIN ZHAO; SONG, Ke-Sheng et al.Journal of organic chemistry. 2002, Vol 67, Num 19, pp 6638-6645, issn 0022-3263, 8 p.Article

A density-functional investigation of aluminium(III)-citrate complexesAQUINO, Adélia J. A; TUNEGA, Daniel; HABERHAUER, Georg et al.PCCP. Physical chemistry chemical physics (Print). 2001, Vol 3, Num 11, pp 1979-1985, issn 1463-9076Article

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