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pro vyhledávání: '"J. L. Rivail"'
Akademický článek
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Publikováno v:
Journal of Chemical Theory and Computation. 5:217-221
Dissociative electron attachment (DEA) to formamide (HCONH2), the smallest molecule with a peptide bond, is investigated with electron-molecule scattering calculations. At the equilibrium geometry we identify two resonances of A′′ and A′ symmet
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c592715f004315f06b4c2e6efc28d7fa
https://doi.org/10.1021/ct800379h
https://doi.org/10.1021/ct800379h
Publikováno v:
Theoretical Chemistry Accounts: Theory, Computation, and Modeling
Theoretical Chemistry Accounts: Theory, Computation, and Modeling, Springer Verlag, 2004, 111, pp.328
Theoretical Chemistry Accounts: Theory, Computation, and Modeling, 2004, 111, pp.328
Theoretical Chemistry Accounts: Theory, Computation, and Modeling, Springer Verlag, 2004, 111, pp.328
Theoretical Chemistry Accounts: Theory, Computation, and Modeling, 2004, 111, pp.328
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::954b4b41a0070ac3119f40f6376d57c5
https://hal.archives-ouvertes.fr/hal-00091772
https://hal.archives-ouvertes.fr/hal-00091772
Publikováno v:
AIP Conference Proceedings.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3911639fea90fa28b0dcf9c9640f1318
https://doi.org/10.1063/1.47856
https://doi.org/10.1063/1.47856
Publikováno v:
AIP Conference Proceedings.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a8df5680af96d0b158a8385a6ca52ca4
https://doi.org/10.1063/1.41333
https://doi.org/10.1063/1.41333
Autor:
A. Cartier, J.-L. Rivail
Publikováno v:
Chemometrics and Intelligent Laboratory Systems. 1:335-347
Cartier, A. and Rivail, J.-L., 1987. Electronic descriptors in quantitative structure—activity relationships. Chemometrics and Intelligent Laboratory Systems, 1: 335-347. Quantum chemical techniques allow the definition of a large number of molecul
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::09212bb50d7b3b757255b682f9e05af4
https://doi.org/10.1016/0169-7439(87)80039-4
https://doi.org/10.1016/0169-7439(87)80039-4
Publikováno v:
The Journal of Chemical Physics. 83:3083-3094
A Monte Carlo simulation of a solution of 1,2‐dichloroethane in methyl chloride has been performed in the NPT ensemble. The solution serves as a model to study the differential solvation of the gauche and anti conformers of a polar solute in a pola
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::01c8018ccb8b2f798658be13ad4afc2a
https://doi.org/10.1063/1.449213
https://doi.org/10.1063/1.449213
Autor:
D. Chandler, M. Rigby, P. A. Monson, D. J. Tildesley, W. B. Streett, W. R. Smith, P. A. Madden, J. M. Haile, W. A. Steele, J. S. Rowlinson, J. C. Dore, I. P. Gibson, J. L. Finney, G. Pálinkás, J. L. Rivail, H. J. C. Berendsen, P. Bordewijk, K. Singer, D. J. Adams, J. N. Murrell, E. B. Smith
Publikováno v:
Faraday Discuss. Chem. Soc.. 66:71-94
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b5e22d6543ee04bc93ee2754ab0dbc11
https://doi.org/10.1039/dc9786600071
https://doi.org/10.1039/dc9786600071
Akademický článek
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Autor:
J. L. Rivail
Publikováno v:
New Theoretical Concepts for Understanding Organic Reactions ISBN: 9789401075398
A liquid is a condensed phase in which intermolecular forces compete with thermal molecular motion which tends to increase the disorder.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8edb27747e818a3083f32b3fa5a2f184
https://doi.org/10.1007/978-94-009-2313-3_8
https://doi.org/10.1007/978-94-009-2313-3_8