Search filters

List of works by Christian S. Pomelli

A DFT investigation of the addition reaction of monomeric lithium enolate derived from propiophenone to propene oxide: examination of the possible transition structures

scientific article

A rationalization of the solvent effect on the Diels-Alder reaction in ionic liquids using multiparameter linear solvation energy relationships

scientific article published on 5 June 2008

A recyclable and base-free method for the synthesis of 3-iodothiophenes by the iodoheterocyclisation of 1-mercapto-3-alkyn-2-ols in ionic liquids

scientific article published on 01 January 2014

A tessellationless integration grid for the polarizable continuum model reaction field

scientific article published on 01 September 2004

A theoretical study of the copper(I)-catalyzed 1,3-dipolar cycloaddition reaction in dabco-based ionic liquids: the anion effect on regioselectivity.

scientific article published on 21 January 2010

A theoretical study of the solvent effect on Diels-Alder reaction in room temperature ionic liquids using a supermolecular approach

Ab Initio Study of the Diels-Alder Reaction of Cyclopentadiene with Acrolein in a Ionic Liquid by KS-DFT/3D-RISM-KH Theory.

scientific article published on 29 October 2009

An insight into the mechanism of the aerobic oxidation of aldehydes catalyzed by N-heterocyclic carbenes.

scientific article published in February 2014

Computational studies on organic reactivity in ionic liquids

scientific article published on 22 November 2012

Continuum solvation of large molecules described by QM/MM: a semi-iterative implementation of the PCM/EFP interface

article by Hui Li et al published 1 March 2003 in Theoretical Chemistry Accounts

Coordination environment of highly concentrated solutions of Cu(II) in ionic liquids through a multidisciplinary approach

scientific article published on 06 February 2012

Dissolution of metal salts in bis(trifluoromethylsulfonyl)imide-based ionic liquids: studying the affinity of metal cations toward a "weakly coordinating" anion

scientific article published on 13 November 2014

Divergent syntheses of iodinated isobenzofuranones and isochromenones by iodolactonization of 2-alkynylbenzoic acids in ionic liquids

scientific article published on 01 June 2017

Ecotoxicity of pristine graphene to marine organisms

scientific article

Effect of ionic liquids on the Menschutkin reaction: an experimental and theoretical study

scientific article published in November 2009

Influence of structural variations in cationic and anionic moieties on the polarity of ionic liquids

scientific article published on 20 July 2011

Influence of the interaction between hydrogen sulfide and ionic liquids on solubility: experimental and theoretical investigation

scientific article published on 19 October 2007

Interface properties of ionic liquids containing metal ions: features and potentialities

scientific article published on 29 February 2012

Modern Theories of Continuum Models

New developments in the symmetry-adapted algorithm of the Polarizable Continuum Model

scientific article published in February 2004

Novel (glycerol)borate-based ionic liquids: an experimental and theoretical study

scientific article

Polarizability effects and dispersion interactions in alkene-Br2 pi-complexes.

scientific article

Reactivity of homoallylic substituted adamantylideneadamantanes with bromine. Substituent effects on the stability of the ionic and nonionic intermediates

scientific article published in October 2002

Recent Advances in the Description of Solvent Effects with the Polarizable Continuum Model

article

Reply to the comment on "Computational studies on organic reactivity in ionic liquids" by C. Chiappe and C. S. Pomelli, Phys. Chem. Chem. Phys., 2013, 15, 412.

scientific article published on 21 May 2013

The first intermediates in the bromination of bicyclo[3.3.1]nonylidenebicyclo[3.3.1]nonane, combination of experiments and theoretical results

scientific article

Paulina is supported by:

About Paulina

Help