| 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 | 101 | 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 | 84 | 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 | 67 | 2013 |
| 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 | 56 | 2016 |
| 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 | 54 | 2015 |
| 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 | 54 | 2010 |
| 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 | 53 | 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 | 47 | 2017 |
| 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 | 44 | 2019 |
| 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 | 44 | 2013 |
| 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 | 43 | 2016 |
| Side-impact collisions of Ar with NO CG Heid, V Walpole, M Brouard, PG Jambrina, FJ Aoiz Nature chemistry 11 (7), 662-668, 2019 | 41 | 2019 |
| 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 | 40 | 2015 |
| 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 | 39 | 2012 |
| 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 | 37 | 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 | 37 | 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 | 36 | 2010 |
| 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 | 35 | 2011 |
| Antileishmanial activity of terpenylquinones on Leishmania infantum and their effects on Leishmania topoisomerase IB Y Pérez-Pertejo, JM Escudero-Martínez, RM Reguera, R Balaña-Fouce, ... International Journal for Parasitology: Drugs and Drug Resistance 11, 70-79, 2019 | 33 | 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 | 31 | 2009 |
