Articles citing this article

The Citing articles tool gives a list of articles citing the current article.
The citing articles come from EDP Sciences database, as well as other publishers participating in CrossRef Cited-by Linking Program. You can set up your personal account to receive an email alert each time this article is cited by a new article (see the menu on the right-hand side of the abstract page).

Cited article:

Solvation Effects on Molecules and Biomolecules

MANUEL F. RUIZ-LÓPEZ
Challenges and Advances in Computational Chemistry and Physics, Solvation Effects on Molecules and Biomolecules 6 23 (2008)
https://doi.org/10.1007/978-1-4020-8270-2_2

Molecular Materials with Specific Interactions – Modeling and Design

Robert Moszynski
Challenges and Advances in Computational Chemistry and Physics, Molecular Materials with Specific Interactions – Modeling and Design 4 1 (2007)
https://doi.org/10.1007/1-4020-5372-X_1

Tautomeric Equilibria and Pi Electron Delocalization for Some MonohydroxyarenesQuantum Chemical Studies

Borys Ośmiałowski, Ewa D. Raczyńska and Tadeusz M. Krygowski
The Journal of Organic Chemistry 71 (10) 3727 (2006)
https://doi.org/10.1021/jo052615q

Investigation of the complexation reaction between 2-diethylaminomethyl-4-methylphenol and ZnCl2. Reaction mechanism and solvent effects

R. Ghailane, E. Perpète and X. Assfeld
Journal of Molecular Structure: THEOCHEM 770 (1-3) 79 (2006)
https://doi.org/10.1016/j.theochem.2006.05.043

DFT study of α-alanine as a function of the medium polarity

G.F. Nóbrega, J.R. Sambrano, A.R. de Souza, J.J. Queralt and E. Longo
Journal of Molecular Structure: THEOCHEM 544 (1-3) 151 (2001)
https://doi.org/10.1016/S0166-1280(01)00374-8

Interaction of Dichloromethane with Palladium Complexes: A Comparative Symmetry-Adapted Perturbation Theory, Supermolecule, and Self-Consistent Reaction Field Study

Thierry Visentin, Elise Kochanski, Robert Moszynski and Alain Dedieu
The Journal of Physical Chemistry A 105 (10) 2031 (2001)
https://doi.org/10.1021/jp003625s

Theoretical Methods for the Description of the Solvent Effect in Biomolecular Systems

Modesto Orozco and F. Javier Luque
Chemical Reviews 100 (11) 4187 (2000)
https://doi.org/10.1021/cr990052a

Implicit Solvation Models:  Equilibria, Structure, Spectra, and Dynamics

Christopher J. Cramer and Donald G. Truhlar
Chemical Reviews 99 (8) 2161 (1999)
https://doi.org/10.1021/cr960149m

Hydration of UO22+ and PuO22+

Steven Spencer, Laura Gagliardi, Nicholas C. Handy, et al.
The Journal of Physical Chemistry A 103 (12) 1831 (1999)
https://doi.org/10.1021/jp983543s

Cavity size in reaction field theory

Chang-Guo Zhan and Daniel M. Chipman
The Journal of Chemical Physics 109 (24) 10543 (1998)
https://doi.org/10.1063/1.477755

Towards an understanding of the molecular mechanism of the unimolecular decomposition of the N-chloro-α-amino acids on the ground and excited states surfaces in aqueous medium

J.J. Queralt, V.S. Safont, V. Moliner and J. Andrés
Chemical Physics Letters 283 (5-6) 294 (1998)
https://doi.org/10.1016/S0009-2614(97)01288-8

A theoretical analysis on the intramolecular proton transfer of α-alanine in an aqueous medium

J.R. Sambrano, A.R. de Sousa, J.J. Queralt, J. Andrés and E. Longo
Chemical Physics Letters 294 (1-3) 1 (1998)
https://doi.org/10.1016/S0009-2614(98)00820-3

Calculation of the reaction field due to off-center point multipoles

Yong Kong and Jay W. Ponder
The Journal of Chemical Physics 107 (2) 481 (1997)
https://doi.org/10.1063/1.474409

An Experimental and Theoretical Study on the Prototropic Equilibria of the Four Carboline Isomers

Gonzalo Angulo, Carmen Carmona, Rafael R. Pappalardo, et al.
The Journal of Organic Chemistry 62 (15) 5104 (1997)
https://doi.org/10.1021/jo970130z

A molecular dynamics study of the conformation of the alanine dipeptide in aqueous solution using a quantum mechanical potential

By ROBERT BUESNEL and IAN H. HILLIER and ANDREW J. MASTERS
Molecular Physics 90 (5) 787 (1997)
https://doi.org/10.1080/002689797172138

Ab Initio Studies on Organophosphorus Compounds. 6. Interactions of Dimethylphosphinic and Dimethylphosphinothioic Acid Monoanions and Methylenebisphosphonic Acid Dianion with Calcium

Jari P. Räsänen, Esko Pohjala, Hannu Nikander and Tapani A. Pakkanen
The Journal of Physical Chemistry A 101 (28) 5196 (1997)
https://doi.org/10.1021/jp971213m

Effect of Hydration on the Barrier to Internal Rotation in Formamide. Quantum Mechanical Calculations Including Explicit Solvent and Continuum Models

J. Simon Craw, Jonathan M. Guest, Matthew D. Cooper, Neil A. Burton and Ian H. Hillier
The Journal of Physical Chemistry 100 (15) 6304 (1996)
https://doi.org/10.1021/jp952896d

Solvent Effects. 5. Influence of Cavity Shape, Truncation of Electrostatics, and Electron Correlation on ab Initio Reaction Field Calculations

James B. Foresman, Todd A. Keith, Kenneth B. Wiberg, John Snoonian and Michael J. Frisch
The Journal of Physical Chemistry 100 (40) 16098 (1996)
https://doi.org/10.1021/jp960488j

Quantum-Chemical Descriptors in QSAR/QSPR Studies

Mati Karelson, Victor S. Lobanov and Alan R. Katritzky
Chemical Reviews 96 (3) 1027 (1996)
https://doi.org/10.1021/cr950202r

Ab initio studies on organophosphorus compounds. Part 4. Intramolecular hydrogen bonding and water interactions of bisphosphonates

Jari P. Räsänen, Esko Pohjala and Tapani A. Pakkanen
J. Chem. Soc., Perkin Trans. 2 (1) 39 (1996)
https://doi.org/10.1039/P29960000039

Theoretical study of the thio-Claisen rearrangement. Can vinylthioethanimine undergo a [3,3]-sigmatropic shift?

Roger Arnaud, Valerie Dillet, Nadia Pelloux-Léon and Yannick Vallée
J. Chem. Soc., Perkin Trans. 2 (10) 2065 (1996)
https://doi.org/10.1039/P29960002065

Ab Initio Studies on Organophosphorus Compounds. 5. Interactions of Dianionic Bisphosphonate Compounds with Magnesium and Calcium

Jari P. Räsänen, Esko Pohjala, Hannu Nikander and Tapani A. Pakkanen
The Journal of Physical Chemistry 100 (20) 8230 (1996)
https://doi.org/10.1021/jp952858u

Direct catalytic effect and fine modulation of solvent in the keto-enol isomerization of amides

Vincenzo Barone, Carlo Adamo and Camilla Minichino
Journal of Molecular Structure: THEOCHEM 330 (1-3) 325 (1995)
https://doi.org/10.1016/0166-1280(94)03857-H

An application of the Miertus‐Scrocco‐Tomasi solvation model in molecular mechanics and dynamics simulations

A. A. Varnek, G. Wipff, A. S. Glebov and D. Feil
Journal of Computational Chemistry 16 (1) 1 (1995)
https://doi.org/10.1002/jcc.540160102

Solvent effects on isomerization equilibria: An energetic analysis in the framework of density functional theory

Francesco Lelj and Carlo Adamo
Theoretica Chimica Acta 91 (3-4) 199 (1995)
https://doi.org/10.1007/BF01114987

MulticavitySCRF calculation of ion hydration energies

Geerd H. F. Diercksen, Mati Karelson, Toomas Tamm and Michael C. Zerner
International Journal of Quantum Chemistry 52 (S28) 339 (1994)
https://doi.org/10.1002/qua.560520834

Studies of solvent effects using density functional theory. Co-operative interactions in H3N…HBr proton transfer

M.F. Ruiz-López, F. Bohr, M.T.C. Martins-Costa and D. Rinaldi
Chemical Physics Letters 221 (1-2) 109 (1994)
https://doi.org/10.1016/0009-2614(94)87025-X

Reaction field factors for a multipole distribution in a cavity surrounded by a continuum

Valérie Dillet, Daniel Rinaldi, János G. Ángyán and Jean-Louis Rivail
Chemical Physics Letters 202 (1-2) 18 (1993)
https://doi.org/10.1016/0009-2614(93)85344-N

Conformational equilibria of α-substituted carbonyl compounds. Study of solvent effects

T. Varnali, V. Aviyente, B. Terryn and M.F. Ruiz-López
Journal of Molecular Structure: THEOCHEM 280 (2-3) 169 (1993)
https://doi.org/10.1016/0166-1280(93)80003-I

Rotation about the C—N bond in formamide: an ab initio molecular orbital study of structure and energetics in the gas phase and in solution

Neil A. Burton, Shirley S-L. Chiu, Mark M. Davidson, et al.
J. Chem. Soc., Faraday Trans. 89 (15) 2631 (1993)
https://doi.org/10.1039/FT9938902631

Recent Experimental and Computational Advances in Molecular Spectroscopy

T. Varnali, V. Aviyente, B. Terryn and M. F. Ruiz-Lopez
Recent Experimental and Computational Advances in Molecular Spectroscopy 135 (1993)
https://doi.org/10.1007/978-94-011-1974-0_10

The optimized ellisoidal cavity and its application to the self-consistent reaction field calculation of hydration energies of cations and neutral molecules

George P. Ford and Bingze Wang
Journal of Computational Chemistry 13 (2) 229 (1992)
https://doi.org/10.1002/jcc.540130214

Fast geometry optimizationin self‐cosistent reaction field computations on solvated molecules

Daniel Rinaldi, Jean‐Louis Rivail and Noureddine Rguini
Journal of Computational Chemistry 13 (6) 675 (1992)
https://doi.org/10.1002/jcc.540130602

Common theoretical framework for quantum chemical solvent effect theories

J�nos G. �ngy�n
Journal of Mathematical Chemistry 10 (1) 93 (1992)
https://doi.org/10.1007/BF01169172

Theoretical chemistry in solution. Some results and perspectives of the continuum methods and in particular of the polarizable continuum model

Jacopo Tomasi, Rosanna Bonaccorsi, Roberto Cammi and Francisco J.Olivares del Valle
Journal of Molecular Structure: THEOCHEM 234 401 (1991)
https://doi.org/10.1016/0166-1280(91)89026-W

Theoretical study of simple push–pull ethylenes in solution

Rafael R. Pappalardo, Enrique Sánchez Marcos, Manuel F. Ruiz‐Lóapez, Daniel Rinaldi and Jean‐Louis Rivail
Journal of Physical Organic Chemistry 4 (3) 141 (1991)
https://doi.org/10.1002/poc.610040304

MNDO and AM1 estimation of the electrostatic, induction and dispersion contributions to the solvation energy by a continuum model

Enrique Sánchez Marcos, Maria J. Capitan, Manuel Galán and Rafael R. Pappaladro
Journal of Molecular Structure: THEOCHEM 210 441 (1990)
https://doi.org/10.1016/0166-1280(90)80067-X

Phosphorus-31 magnetic relaxation of adenosine 5′-monophosphate, adenosine 5′-diphosphate and adenosine 5′-triphosphate in solution

R. Gaspar, W.S. Brey, A. Qiu and E.R. Andrew
Chemical Physics Letters 156 (6) 619 (1989)
https://doi.org/10.1016/S0009-2614(89)87243-4

Electrostatical solvent effect and acidities of aliphatic alcohols in DMSO solution

N. Rguini, D. Rinaldi and J.L. Rivail
Journal of Molecular Structure: THEOCHEM 166 319 (1988)
https://doi.org/10.1016/0166-1280(88)80456-1

A supertensor formalism for solute–continuum solvent interactions with an arbitrarily shaped cavity. I. Theory and implementation

Malcolm L. J. Drummond
The Journal of Chemical Physics 88 (8) 5014 (1988)
https://doi.org/10.1063/1.454681

Circular dichroism of (1S,4R)-norcamphor and its methyl derivatives. Theoretical calculation of solvent effects and vibronic coupling perturbations

M.F. Ruiz-Lopez, D. Rinaldi and J.L. Rivail
Chemical Physics 110 (2-3) 403 (1986)
https://doi.org/10.1016/0301-0104(86)87095-1

Theoretical basis of the empirical reaction field approximations through continuum model

Raymond Constanciel
Theoretica Chimica Acta 69 (5-6) 505 (1986)
https://doi.org/10.1007/BF00526707

Influence of dispersion forces on the electronic structure of a solvated molecule

Daniel Rinaldi, Benedito J. Costa Cabral and Jean-Louis Rivail
Chemical Physics Letters 125 (5-6) 495 (1986)
https://doi.org/10.1016/0009-2614(86)87087-7

Theoretical calculation of vibrational polarizabilities. An application to the study of conformational and solvent effects

D. Rinaldi, M.F. Ruiz-Lopez, M.T.C.Martins Costa and J.L. Rivail
Chemical Physics Letters 128 (2) 177 (1986)
https://doi.org/10.1016/0009-2614(86)80321-9

Etude theorique d'effets de solvant sur les constantes de couplage quadripolaire nucleaire

M.F. Ruiz-Lopez, D. Rinaldi and J.L. Rivail
Journal of Molecular Structure: THEOCHEM 148 (1-2) 61 (1986)
https://doi.org/10.1016/0166-1280(86)85005-9

Modifications of circular dichroism by electrostatic influence of the solvent. A theoretical approach in the random phase approximation

Manuel F. Ruiz-Lopez and Daniel Rinaldi
Chemical Physics 86 (3) 367 (1984)
https://doi.org/10.1016/0301-0104(84)80025-7

Ab initio SCF calculations on electrostatically solvated molecules using a deformable three axes ellipsoidal cavity

Daniel Rinaldi, Manuel F. Ruiz-Lopez and Jean-Louis Rivail
The Journal of Chemical Physics 78 (2) 834 (1983)
https://doi.org/10.1063/1.444783

Electrostatic solvent effect on the circular dichroism of the carbonyl n→π* transition.

M.F. Ruiz-Lopez and D. Rinaldi
Journal of Molecular Structure: THEOCHEM 93 277 (1983)
https://doi.org/10.1016/0166-1280(83)80113-4