Pablo G. Jambrina
Pablo G. Jambrina
Investigador. Departamento de Química Física. Universidad de Salamanca
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A ring polymer molecular dynamics study of the isotopologues of the H+ H 2 reaction
YV Suleimanov, RP de Tudela, PG Jambrina, JF Castillo, ...
Physical Chemistry Chemical Physics 15 (10), 3655-3665, 2013
Light-regulated molecular trafficking in a synthetic water-soluble host
J Del Barrio, STJ Ryan, PG Jambrina, E Rosta, OA Scherman
Journal of the American Chemical Society 138 (18), 5745-5748, 2016
Rotational alignment effects in NO (X)+ Ar inelastic collisions: An experimental study
M Brouard, H Chadwick, CJ Eyles, B Hornung, B Nichols, FJ Aoiz, ...
The Journal of Chemical Physics 138 (10), 2013
The dynamics of the H++ D 2 reaction: a comparison of quantum mechanical wavepacket, quasi-classical and statistical-quasi-classical results
PG Jambrina, FJ Aoiz, N Bulut, SC Smith, GG Balint-Kurti, M Hankel
Physical Chemistry Chemical Physics 12 (5), 1102-1115, 2010
Phosphorylation of RAF kinase dimers drives conformational changes that facilitate transactivation
PG Jambrina, N Rauch, R Pilkington, K Rybakova, LK Nguyen, ...
Angewandte Chemie 128 (3), 995-998, 2016
Rotational alignment effects in NO (X)+ Ar inelastic collisions: A theoretical study
M Brouard, H Chadwick, CJ Eyles, B Hornung, B Nichols, FJ Aoiz, ...
The Journal of Chemical Physics 138 (10), 2013
Quantum interference between H + D2 quasiclassical reaction mechanisms
PG Jambrina, D Herráez-Aguilar, FJ Aoiz, M Sneha, J Jankunas, RN Zare
Nature chemistry 7 (8), 661-667, 2015
Direct Evidence for a Peroxide Intermediate and a Reactive Enzyme–Substrate–Dioxygen Configuration in a Cofactor‐free Oxidase
S Bui, D von Stetten, PG Jambrina, T Prangé, N Colloc'h, D de Sanctis, ...
Angewandte Chemie 126 (50), 13930-13934, 2014
Insights into functions of the H channel of cytochrome c oxidase from atomistic molecular dynamics simulations
V Sharma, PG Jambrina, M Kaukonen, E Rosta, PR Rich
Proceedings of the National Academy of Sciences 114 (48), E10339-E10348, 2017
Dynamics of the D++ H 2 and H++ D 2 reactions: a detailed comparison between theory and experiment
PG Jambrina, JM Alvariño, D Gerlich, M Hankel, VJ Herrero, ...
Physical Chemistry Chemical Physics 14 (10), 3346-3359, 2012
Understanding the mechanism of the hydrogen abstraction from arachidonic acid catalyzed by the human enzyme 15-lipoxygenase-2. A quantum mechanics/molecular mechanics free …
R Suardiaz, PG Jambrina, L Masgrau, A Gonzalez-Lafont, E Rosta, ...
Journal of chemical theory and computation 12 (4), 2079-2090, 2016
Cold and ultracold dynamics of the barrierless D++ H2 reaction: Quantum reactive calculations for∼ R− 4 long range interaction potentials
M Lara, PG Jambrina, FJ Aoiz, JM Launay
The Journal of Chemical Physics 143 (20), 2015
Stereodynamical control of a quantum scattering resonance in cold molecular collisions
FJA Pablo G. Jambrina, James F. E. Croft, Hua Guo, Mark Brouard, Naduvalath ...
Physical Review Letters 123, 043401, 2019
Mutations decouple proton transfer from phosphate cleavage in the dutpase catalytic reaction
A Lopata, PG Jambrina, PK Sharma, BR Brooks, J Toth, BG Vertessy, ...
Acs Catalysis 5 (6), 3225-3237, 2015
Molecular mechanisms of asymmetric RAF dimer activation
PG Jambrina, O Bohuszewicz, NV Buchete, W Kolch, E Rosta
Biochemical Society Transactions 42 (4), 784-790, 2014
Reaction dynamics of the D++ H 2 system. A comparison of theoretical approaches
PG Jambrina, JM Alvariño, FJ Aoiz, VJ Herrero, V Sáez-Rábanos
Physical Chemistry Chemical Physics 12 (39), 12591-12603, 2010
Side-impact collisions of Ar with NO
CG Heid, V Walpole, M Brouard, PG Jambrina, FJ Aoiz
Nature chemistry 11 (7), 662-668, 2019
Effects of the Rotational Excitation of D2 and of the Potential Energy Surface on the H++ D2→ HD+ D+ Reaction
T González-Lezana, P Honvault, PG Jambrina, FJ Aoiz, JM Launay
The Journal of chemical physics 131 (4), 2009
On the role of dynamical barriers in barrierless reactions at low energies: S (1D)+ H2
M Lara, PG Jambrina, AJC Varandas, JM Launay, FJ Aoiz
The Journal of chemical physics 135 (13), 2011
Can quasiclassical trajectory calculations reproduce the extreme kinetic isotope effect observed in the muonic isotopologues of the H+ H2 reaction?
PG Jambrina, E García, VJ Herrero, V Sáez-Rábanos, FJ Aoiz
The Journal of chemical physics 135 (3), 2011
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