Chemical Reaction Rate Coefficients from Ring Polymer Molecular Dynamics: Theory and Practical Applications
Suleimanov, Yury V, Aoiz, F. Javier, Guo, Hua
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (03.11.2016)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (03.11.2016)
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Journal Article
Side-impact collisions of Ar with NO
Heid, Cornelia G, Walpole, Victoria, Brouard, Mark, Jambrina, Pablo G, Aoiz, F Javier
Published in Nature chemistry (01.07.2019)
Published in Nature chemistry (01.07.2019)
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Journal Article
A ring polymer molecular dynamics study of the isotopologues of the H + H2 reaction
Suleimanov, Yury V, de Tudela, Ricardo Pérez, Jambrina, Pablo G, Castillo, Jesús F, Sáez-Rábanos, Vicente, Manolopoulos, David E, Aoiz, F. Javier
Published in Physical chemistry chemical physics : PCCP (14.03.2013)
Published in Physical chemistry chemical physics : PCCP (14.03.2013)
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Journal Article
Inelastic Scattering of NO by Kr: Rotational Polarization over a Rainbow
Chadwick, Helen, Nichols, Bethan, Gordon, Sean D. S, Hornung, Balazs, Squires, Eleanor, Brouard, Mark, Kłos, Jacek, Alexander, Millard H, Aoiz, F. Javier, Stolte, Steven
Published in The journal of physical chemistry letters (02.10.2014)
Published in The journal of physical chemistry letters (02.10.2014)
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On the dynamics of the H+ +D2(v=0,j=0)-->HD+D + reaction: a comparison between theory and experiment
Carmona-Novillo, Estela, González-Lezana, Tomás, Roncero, Octavio, Honvault, Pascal, Launay, Jean-Michel, Bulut, Niyazi, Javier Aoiz, F, Bañares, Luis, Trottier, Alexandre, Wrede, Eckart
Published in The Journal of chemical physics (07.01.2008)
Published in The Journal of chemical physics (07.01.2008)
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Journal Article
How interference reveals geometric phase
Aoiz, F Javier
Published in Science (American Association for the Advancement of Science) (15.05.2020)
Published in Science (American Association for the Advancement of Science) (15.05.2020)
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Journal Article
Autobiography of F. Javier Aoiz
Aoiz, F. Javier
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (13.02.2020)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (13.02.2020)
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Journal Article
Experimental and Theoretical Differential Cross Sections for the N(2D) + H2 Reaction
Balucani, Nadia, Casavecchia, Piergiorgio, Bañares, Luis, Aoiz, F. Javier, Gonzalez-Lezana, Tomás, Honvault, Pascal, Launay, Jean-Michel
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (19.01.2006)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (19.01.2006)
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Journal Article
Quantum-instanton evaluation of the kinetic isotope effects
Vanícek, Jirí, Miller, William H, Castillo, Jesús F, Aoiz, F Javier
Published in The Journal of chemical physics (01.08.2005)
Published in The Journal of chemical physics (01.08.2005)
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Journal Article
Rate coefficients for the O + H2 and O + D2 reactions: how well ring polymer molecular dynamics accounts for tunelling
Menéndez, Marta, Veselinova, Anzhela, Zanchet, Alexandre, Jambrina, Pablo G, Aoiz, F Javier
Published in Physical chemistry chemical physics : PCCP (07.08.2024)
Published in Physical chemistry chemical physics : PCCP (07.08.2024)
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Journal Article
Rate coefficients for the O + H 2 and O + D 2 reactions: how well ring polymer molecular dynamics accounts for tunelling
Menéndez, Marta, Veselinova, Anzhela, Zanchet, Alexandre, Jambrina, Pablo G, Aoiz, F Javier
Published in Physical chemistry chemical physics : PCCP (07.08.2024)
Published in Physical chemistry chemical physics : PCCP (07.08.2024)
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Journal Article
Li + HF and Li + HCl Reactions Revisited I: QCT Calculations and Simulation of Experimental Results
Menéndez, Marta, Garcia, Ernesto, Lara, Manuel, Jambrina, Pablo G., Aoiz, F. Javier
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (24.08.2023)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (24.08.2023)
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Journal Article
A state-to-state dynamical study of the Br + H2 reaction: comparison of quantum and classical trajectory results
Panda, Aditya N, Herráez-Aguilar, Diego, Jambrina, Pablo G, Aldegunde, Jesús, Althorpe, Stuart C, Aoiz, F. Javier
Published in Physical chemistry chemical physics : PCCP (05.10.2012)
Published in Physical chemistry chemical physics : PCCP (05.10.2012)
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