• Publications
  • Group Members
  • News
  • Contact us
  • Software

User login

  • Request new password

Recent blog posts

  • Group Seminar and Journal Club 2017 - NEW!
  • Group Seminar and Journal Club 2016 - NEW!
  • Group Seminars and Journal Clubs - 2016
  • Installing PyMol from MacPorts
  • How to calculate ROC curves
  • MIPGen
  • Small Molecule Dihedrals Parametrization
  • Gaussian 09 and Antechamber12
  • Organic solvent boxes
  • Parametrize new ligands for AMBER and CHARMM
more

Home

Publications

  • List
  • Filter
Export 3 results:
  • Tagged
  • XML
  • BibTex
Sort by: Author Title Type [ Year (Desc)]
Filters: Keyword is continuum model  [Clear All Filters]
2012
Caprasecca, S, Curutchet C, Mennucci B.  2012.  Toward a Unified Modeling of Environment and Bridge-Mediated Contributions to Electronic Energy Transfer: A Fully Polarizable QM/MM/PCM Approach. Journal of Chemical Theory and Computation. 8(11):4462-4473. Abstract
  • Tagged
  • XML
  • BibTex
  • Google Scholar
2009
Curutchet, C, Munoz-Losa A, Monti S, Kongsted J, Scholes GD, Mennucci B.  2009.  Electronic Energy Transfer in Condensed Phase Studied by a Polarizable QM/MM Model. Journal of Chemical Theory and Computation. 5(7):1838-1848. Abstract
  • Tagged
  • XML
  • BibTex
  • Google Scholar
2002
Hernandez, B, Curutchet C, Colominas C, Orozco M, Luque FJ.  2002.  Prediction of conformational free energy differences of solutes in solution: An MC-MST study. Molecular Simulation. 28(1-2):153-171. Abstract
  • Tagged
  • XML
  • BibTex
  • Google Scholar