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Radu Iftimie

Showing results (1-10 of 23) with videos related to

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The Journal of Chemical Physics|December 23, 2009
Molecular polarizabilities in aqueous proton transfer reactionsAndrei Buin, Radu Iftimie
The Journal of Chemical Physics|February 23, 2010
Combining ab initio quantum mechanics with a dipole-field model to describe acid dissociation reactions in water: first-principles free energy and entropy calculationsPatrick Maurer, Radu Iftimie
The Journal of Physical Chemistry. B|May 9, 2009
Toward understanding the dissociation of weak acids in water: 1. Using ir spectroscopy to identify proton-shared hydrogen-bonded ion-pair intermediatesVibin Thomas, Radu Iftimie
The Journal of Chemical Physics|June 25, 2005
Decomposing total IR spectra of aqueous systems into solute and solvent contributions: a computational approach using maximally localized Wannier orbitalsRadu Iftimie, Mark E Tuckerman
Angewandte Chemie (International Ed. in English)|January 4, 2006
The molecular origin of the "continuous" infrared absorption in aqueous solutions of acids: a computational approachRadu Iftimie, Mark E Tuckerman
The Journal of Chemical Physics|March 10, 2011
A computational study of ultrafast acid dissociation and acid-base neutralization reactions. II. The relationship between the coordination state of solvent molecules and concerted versus sequential acid dissociationPatrick Maurer, Vibin Thomas, Radu Iftimie
The Journal of Physical Chemistry. B|June 4, 2010
On the formation of proton-shared and contact ion pair forms during the dissociation of moderately strong acids: an Ab initio molecular dynamics investigationVibin Thomas, Patrick Maurer, Radu Iftimie
Proceedings of the National Academy of Sciences of the United States of America|May 5, 2005
Ab initio molecular dynamics: concepts, recent developments, and future trendsRadu Iftimie, Peter Minary, Mark E Tuckerman
The Journal of Organic Chemistry|March 17, 2021
Computational Insight into Cu-Catalyzed C<sub>sp</sub>-S Coupling to Form a Macrocyclic Alkynyl SulfideMathieu Morency, Radu Iftimie, Shawn K Collins
The Journal of Chemical Physics|August 7, 2010
A computational study of ultrafast acid dissociation and acid-base neutralization reactions. I. The modelPatrick Maurer, Vibin Thomas, Ugo Rivard, et al.
Pageof 3

Showing results (1-10 of 23) with videos related to

Sort By:
Pageof 3
The Journal of Chemical Physics|December 23, 2009
Molecular polarizabilities in aqueous proton transfer reactionsAndrei Buin, Radu Iftimie
The Journal of Chemical Physics|February 23, 2010
Combining ab initio quantum mechanics with a dipole-field model to describe acid dissociation reactions in water: first-principles free energy and entropy calculationsPatrick Maurer, Radu Iftimie
The Journal of Physical Chemistry. B|May 9, 2009
Toward understanding the dissociation of weak acids in water: 1. Using ir spectroscopy to identify proton-shared hydrogen-bonded ion-pair intermediatesVibin Thomas, Radu Iftimie
The Journal of Chemical Physics|June 25, 2005
Decomposing total IR spectra of aqueous systems into solute and solvent contributions: a computational approach using maximally localized Wannier orbitalsRadu Iftimie, Mark E Tuckerman
Angewandte Chemie (International Ed. in English)|January 4, 2006
The molecular origin of the "continuous" infrared absorption in aqueous solutions of acids: a computational approachRadu Iftimie, Mark E Tuckerman
The Journal of Chemical Physics|March 10, 2011
A computational study of ultrafast acid dissociation and acid-base neutralization reactions. II. The relationship between the coordination state of solvent molecules and concerted versus sequential acid dissociationPatrick Maurer, Vibin Thomas, Radu Iftimie
The Journal of Physical Chemistry. B|June 4, 2010
On the formation of proton-shared and contact ion pair forms during the dissociation of moderately strong acids: an Ab initio molecular dynamics investigationVibin Thomas, Patrick Maurer, Radu Iftimie
Proceedings of the National Academy of Sciences of the United States of America|May 5, 2005
Ab initio molecular dynamics: concepts, recent developments, and future trendsRadu Iftimie, Peter Minary, Mark E Tuckerman
The Journal of Organic Chemistry|March 17, 2021
Computational Insight into Cu-Catalyzed C<sub>sp</sub>-S Coupling to Form a Macrocyclic Alkynyl SulfideMathieu Morency, Radu Iftimie, Shawn K Collins
The Journal of Chemical Physics|August 7, 2010
A computational study of ultrafast acid dissociation and acid-base neutralization reactions. I. The modelPatrick Maurer, Vibin Thomas, Ugo Rivard, et al.
Pageof 3