Pablo G. Jambrina
Pablo G. Jambrina
Investigador. Departamento de Química Física. Universidad de Salamanca
Verifierad e-postadress på usal.es
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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
672013
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), 104310, 2013
552013
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
522016
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
442010
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), 104309, 2013
432013
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
362012
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
352016
Quantum interference between H+ D 2 quasiclassical reaction mechanisms
PG Jambrina, D Herráez-Aguilar, FJ Aoiz, M Sneha, J Jankunas, RN Zare
Nature chemistry 7 (8), 661-667, 2015
302015
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
302010
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
292017
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
292014
Effects of the rotational excitation of and of the potential energy surface on the reaction
T González-Lezana, P Honvault, PG Jambrina, FJ Aoiz, JM Launay
The Journal of chemical physics 131 (4), 044315, 2009
282009
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
272014
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), 134313, 2011
26*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), 034310, 2011
262011
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), 204305, 2015
252015
Cumulative reaction probabilities and transition state properties: A study of the and proton exchange reactions
PG Jambrina, FJ Aoiz, CJ Eyles, VJ Herrero, V Sáez Rábanos
The Journal of chemical physics 130 (18), 184303, 2009
242009
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
232015
Exploring the role of the 5-substituent for the intrinsic fluorescence of 5-aryl and 5-heteroaryl uracil nucleotides: a systematic study
T Pesnot, LM Tedaldi, PG Jambrina, E Rosta, GK Wagner
Organic & biomolecular chemistry 11 (37), 6357-6371, 2013
222013
Dynamics of the reactions of muonium and deuterium atoms with vibrationally excited hydrogen molecules: tunneling and vibrational adiabaticity
PG Jambrina, E García, VJ Herrero, V Sáez-Rábanos, FJ Aoiz
Physical Chemistry Chemical Physics 14 (42), 14596-14604, 2012
222012
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Artiklar 1–20