Gaussian 16 MJ Frisch Revision B 1, 2016 | 51897* | 2016 |
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Quantum mechanical continuum solvation models J Tomasi, B Mennucci, R Cammi Chemical reviews 105 (8), 2999-3094, 2005 | 17425 | 2005 |
A new integral equation formalism for the polarizable continuum model: Theoretical background and applications to isotropic and anisotropic dielectrics E Cances, B Mennucci, J Tomasi The Journal of chemical physics 107 (8), 3032-3041, 1997 | 7231 | 1997 |
Continuum solvation models: A new approach to the problem of solute’s charge distribution and cavity boundaries B Mennucci, J Tomasi The Journal of chemical physics 106 (12), 5151-5158, 1997 | 3013 | 1997 |
Gaussian 16/Gaussian MJ Frisch Inc, 2016 | 2979* | 2016 |
The IEF version of the PCM solvation method: an overview of a new method addressed to study molecular solutes at the QM ab initio level J Tomasi, B Mennucci, E Cancès Journal of Molecular Structure: THEOCHEM 464 (1-3), 211-226, 1999 | 2729 | 1999 |
Evaluation of solvent effects in isotropic and anisotropic dielectrics and in ionic solutions with a unified integral equation method: theoretical bases, computational … B Mennucci, E Cances, J Tomasi The Journal of Physical Chemistry B 101 (49), 10506-10517, 1997 | 2389 | 1997 |
Definition of the hydrogen bond (IUPAC Recommendations 2011) E Arunan, GR Desiraju, RA Klein, J Sadlej, S Scheiner, I Alkorta, DC Clary, ... Pure and applied chemistry 83 (8), 1637-1641, 2011 | 2126 | 2011 |
Ab initio study of ionic solutions by a polarizable continuum dielectric model M Cossi, V Barone, B Mennucci, J Tomasi Chemical Physics Letters 286 (3-4), 253-260, 1998 | 1825 | 1998 |
Geometries and properties of excited states in the gas phase and in solution: Theory and application of a time-dependent density functional theory polarizable continuum model G Scalmani, MJ Frisch, B Mennucci, J Tomasi, R Cammi, V Barone The Journal of chemical physics 124 (9), 2006 | 1393 | 2006 |
Gaussian 09. 2009, Gaussian MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Inc.: Wallingford, Ct, USA 542, 1990 | 1211 | 1990 |
Defining the hydrogen bond: An account (IUPAC Technical Report) E Arunan, GR Desiraju, RA Klein, J Sadlej, S Scheiner, I Alkorta, DC Clary, ... Pure and Applied Chemistry 83 (8), 1619-1636, 2011 | 1160 | 2011 |
Gaussian 09, Revision D. 01, Gaussian, Inc., Wallingford CT MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... See also: URL: http://www. gaussian. com 620, 2009 | 1121 | 2009 |
Polarizable continuum model B Mennucci Wiley Interdisciplinary Reviews: Computational Molecular Science 2 (3), 386-404, 2012 | 972 | 2012 |
Gaussian GW Trucks, HB Schlegel, GE Scuseria, MA Robb, JR Cheeseman, ... Inc., Wallingford CT, 2009 | 768 | 2009 |
Polarizable continuum model (PCM) calculations of solvent effects on optical rotations of chiral molecules B Mennucci, J Tomasi, R Cammi, JR Cheeseman, MJ Frisch, FJ Devlin, ... The Journal of Physical Chemistry A 106 (25), 6102-6113, 2002 | 763 | 2002 |
Fast evaluation of geometries and properties of excited molecules in solution: a Tamm-Dancoff model with application to 4-dimethylaminobenzonitrile R Cammi, B Mennucci, J Tomasi The Journal of Physical Chemistry A 104 (23), 5631-5637, 2000 | 726 | 2000 |
Gaussian 98, Rev. A. 7, Gaussian MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Inc., Pittsburgh, PA, 1998 | 720 | 1998 |
01; Gaussian, Inc MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Wallingford, CT, 2009 | 664* | 2009 |