Christian S. Pomelli
Christian S. Pomelli
Researcher - Organic Chemistry - Dept. of Pharmacy - University of Pisa
Verified email at farm.unipi.it - Homepage
Title
Cited by
Cited by
Year
Recent advances in the description of solvent effects with the polarizable continuum model
C Amovilli, V Barone, R Cammi, E Cancès, M Cossi, B Mennucci, ...
Advances in Quantum Chemistry 32, 227-261, 1998
4611998
Influence of the interaction between hydrogen sulfide and ionic liquids on solubility: experimental and theoretical investigation
CS Pomelli, C Chiappe, A Vidis, G Laurenczy, PJ Dyson
The Journal of Physical Chemistry B 111 (45), 13014-13019, 2007
1402007
A rationalization of the solvent effect on the Diels–Alder reaction in ionic liquids using multiparameter linear solvation energy relationships
R Bini, C Chiappe, VL Mestre, CS Pomelli, T Welton
Organic & biomolecular chemistry 6 (14), 2522-2529, 2008
1302008
Influence of structural variations in cationic and anionic moieties on the polarity of ionic liquids
C Chiappe, CS Pomelli, S Rajamani
The Journal of Physical Chemistry B 115 (31), 9653-9661, 2011
1282011
Achieving linear-scaling computational cost for the polarizable continuum model of solvation
G Scalmani, V Barone, KN Kudin, CS Pomelli, GE Scuseria, MJ Frisch
Theoretical Chemistry Accounts 111 (2-6), 90-100, 2004
1232004
Continuum solvation of large molecules described by QM/MM: a semi-iterative implementation of the PCM/EFP interface
H Li, CS Pomelli, JH Jensen
Theoretical Chemistry Accounts 109 (2), 71-84, 2003
1212003
The solvent effect on the Diels–Alder reaction in ionic liquids: multiparameter linear solvation energy relationships and theoretical analysis
C Chiappe, M Malvaldi, CS Pomelli
Green chemistry 12 (8), 1330-1339, 2010
1012010
Ionic liquids: Solvation ability and polarity
C Chiappe, M Malvaldi, CS Pomelli
Pure and Applied Chemistry 81 (4), 767-776, 2009
902009
An improved iterative solution to solve the electrostatic problem in the polarizable continuum model
CS Pomelli, J Tomasi, V Barone
Theoretical Chemistry Accounts 105 (6), 446-451, 2001
772001
Ab Initio Study of the SN2 Reaction CH3Cl+ Cl-→ Cl-+ CH3Cl in Supercritical Water with the Polarizable Continuum Model
CS Pomelli, J Tomasi
The Journal of Physical Chemistry A 101 (19), 3561-3568, 1997
651997
Effect of ionic liquids on the Menschutkin reaction: an experimental and theoretical study
R Bini, C Chiappe, CS Pomelli, B Parisi
The Journal of organic chemistry 74 (22), 8522-8530, 2009
532009
A theoretical study of the solvent effect on Diels-Alder reaction in room temperature ionic liquids using a supermolecular approach
R Bini, C Chiappe, VL Mestre, CS Pomelli, T Welton
Theoretical Chemistry Accounts 123 (3-4), 347-352, 2009
452009
Theoretical Study on the Thermodynamics of the Elimination of Formic Acid in the Last Step of the Hydrogenation of CO2 Catalyzed by Rhodium Complexes in the Gas Phase …
CS Pomelli, J Tomasi, M Sola
Organometallics 17 (15), 3164-3168, 1998
391998
Computational studies on organic reactivity in ionic liquids
C Chiappe, CS Pomelli
Physical Chemistry Chemical Physics 15 (2), 412-423, 2013
362013
A new formulation of the PCM solvation method: PCM-QINTn
CS Pomelli, J Tomasi
Theoretical Chemistry Accounts 96 (1), 39-43, 1997
361997
Polarizability Effects and Dispersion Interactions in Alkene-Br2 π-Complexes
C Chiappe, H Detert, D Lenoir, CS Pomelli, MF Ruasse
Journal of the American Chemical Society 125 (10), 2864-2865, 2003
352003
DefPol: New procedure to build molecular surfaces and its use in continuum solvation methods
CS Pomelli, J Tomasi
Journal of computational chemistry 19 (15), 1758-1776, 1998
341998
Ab initio study of the Diels− Alder reaction of cyclopentadiene with acrolein in a ionic liquid by ks-dft/3d-rism-kh theory
C Chiappe, M Malvaldi, CS Pomelli
Journal of chemical theory and computation 6 (1), 179-183, 2010
332010
Variation of surface partition in GEPOL: effects on solvation free energy and free-energy profiles
CS Pomelli, J Tomasi
Theoretical Chemistry Accounts 99 (1), 34-43, 1998
331998
n-Alkyl alcohols at the water/vapour and water/benzene interfaces: a study on phase transfer energies
L Frediani, CS Pomelli, J Tomasi
Physical Chemistry Chemical Physics 2 (21), 4876-4883, 2000
272000
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