フォロー
Benedetta Mennucci
Benedetta Mennucci
Department of Chemistry, University of Pisa
確認したメール アドレス: dcci.unipi.it - ホームページ
タイトル
引用先
引用先
Gaussian 16
MJ Frisch
Revision B 1, 2016
59670*2016
Gaussian 16
MJ Frisch
Revision B 1, 2016
49912*2016
Quantum mechanical continuum solvation models
J Tomasi, B Mennucci, R Cammi
Chemical reviews 105 (8), 2999-3094, 2005
180212005
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
73821997
Gaussian 09; Gaussian, Inc
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Wallingford, CT 32, 5648-5652, 2009
30872009
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
30511997
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
28541999
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
24221997
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
22202011
Gaussian 16, Gaussian
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Inc., Wallingford CT 2016, 2016
1910*2016
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
18411998
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
14392006
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
12002011
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
10552009
Polarizable continuum model
B Mennucci
Wiley Interdisciplinary Reviews: Computational Molecular Science 2 (3), 386-404, 2012
10422012
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
8102002
Gaussian
GW Trucks, HB Schlegel, GE Scuseria, MA Robb, JR Cheeseman, ...
Inc., Wallingford CT, 2009
7792009
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
7362000
Gaussian 03, Revision C. 02. Gaussian
KN Kudin, JC Burant, JM Millam, SS Iyengar, J Tomasi, V Barone, ...
Inc.: Wallingford, CT, 2004
6242004
Formation and relaxation of excited states in solution: A new time dependent polarizable continuum model based on time dependent density functional theory
M Caricato, B Mennucci, J Tomasi, F Ingrosso, R Cammi, S Corni, ...
The Journal of chemical physics 124 (12), 2006
6182006
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論文 1–20