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Jean-Louis Rivail, Ph.D.

Affiliations: 
University of Nancy (France) 
Website:
http://www.srsmc.uhp-nancy.fr/spip/spip.php%3Farticle283.html
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"Jean-Louis Rivail"
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Continuum based models of solvent in quantum chemistry.

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Publications

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Loos PF, Rivail JL, Assfeld X. (2017) Iterative stochastic subspace self-consistent field method. Journal of Molecular Modeling. 23: 173
Rivail JL, Monari A, Assfeld X. (2015) The non empirical local self consistent field method: Application to quantum mechanics/molecular mechanics (qm/mm) modeling of large biomolecular systems Quantum Modeling of Complex Molecular Systems. 343-365
Rivail JL, Ruiz-Lopez M, Assfeld X. (2015) Quantum modeling of complex molecular systems Quantum Modeling of Complex Molecular Systems. 1-523
Monari A, Rivail JL, Assfeld X. (2013) Theoretical modeling of large molecular systems. Advances in the local self consistent field method for mixed quantum mechanics/molecular mechanics calculations. Accounts of Chemical Research. 46: 596-603
Monari A, Very T, Rivail JL, et al. (2012) A QM/MM study on the spinach plastocyanin: Redox properties and absorption spectra Computational and Theoretical Chemistry. 990: 119-125
Monari A, Very T, Rivail JL, et al. (2012) Effects of mutations on the absorption spectra of copper proteins: A QM/MM study Theoretical Chemistry Accounts. 131: 1-9
Goumans TPM, Gianturco FA, Sebastianelli F, et al. (2009) Dissociative electron attachment to formamide: Direct and indirect pathways from resonant intermediates Journal of Chemical Theory and Computation. 5: 217-221
Assfeld X, Rivail JL. (2009) Foreword Journal of Molecular Structure: Theochem. 898: 1
Loos PF, Assfeld X, Rivail JL. (2007) Intramolecular interactions and cis peptidic bonds Theoretical Chemistry Accounts. 118: 165-171
Colvin ME, Cramer CJ, Dykstra CE, et al. (2006) Molecular quantum mechanics to biodynamics: Essential connections Journal of Molecular Structure: Theochem. 764: 1-8
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