| 1 |
Electrochemically Triggered Dynamics within a Hybrid Metal-Organic Electrocatalyst
Heidary N, Morency M, Chartrand D, Ly KH, Iftimie R, Kornienko N
Journal of the American Chemical Society, 142(28), 12382, 2020 |
| 2 |
Moderately Strong Phenols Dissociate by Forming an Ion-Pair Kinetic Intermediate
Iftimie R, Tremblay MH, Thomas V, Hetu S, de Lasalle F, Rivard U
Journal of Physical Chemistry A, 117(51), 13976, 2013 |
| 3 |
On the Formation of Proton-Shared and Contact Ion Pair Forms during the Dissociation of Moderately Strong Acids: An Ab Initio Molecular Dynamics Investigation
Thomas V, Maurer P, Iftimie R
Journal of Physical Chemistry B, 114(24), 8147, 2010 |
| 4 |
Toward Understanding the Dissociation of Weak Acids in Water: 1. Using IR Spectroscopy to Identify Proton-Shared Hydrogen-Bonded Ion-Pair Intermediates
Thomas V, Iftimie R
Journal of Physical Chemistry B, 113(13), 4152, 2009 |
| 5 |
Spectral signatures and molecular origin of acid dissociation intermediates
Iftimie R, Thomas V, Plessis S, Marchand P, Ayotte P
Journal of the American Chemical Society, 130(18), 5901, 2008 |
| 6 |
Ab initio and empirical model MD simulation studies of solvent effects on the properties of N-methylacetamide along a cis-trans isomerization pathway
Mantz YA, Gerard H, Iftimie R, Martyna GJ
Journal of Physical Chemistry B, 110(27), 13523, 2006 |
| 7 |
On-the-fly localization of electronic orbitals in Car-Parrinello molecular dynamics
Iftimie R, Thomas JW, Tuckerman ME
Journal of Chemical Physics, 120(5), 2169, 2004 |
| 8 |
Lsomerization of a peptidic fragment studied theoretically in vacuum and in explicit water solvent at finite temperature
Mantz YA, Gerard H, Iftimie R, Martyna GJ
Journal of the American Chemical Society, 126(13), 4080, 2004 |
| 9 |
An efficient Monte Carlo method for calculating ab initio transition state theory reaction rates in solution
Iftimie R, Salahub D, Schofield J
Journal of Chemical Physics, 119(21), 11285, 2003 |
| 10 |
Morphology and surface properties of boehmite (gamma-AlOOH): A density functional theory study
Raybaud P, Digne M, Iftimie R, Wellens W, Euzen P, Toulhoat H
Journal of Catalysis, 201(2), 236, 2001 |
