Portal Investigación UEx

PORTAL DE INVESTIGACIÓN

REVISTA

JOURNAL OF PHYSICAL CHEMISTRY A

ISSN

1089-5639

EISSN

1520-5215

JCR 2023: 2.7

Mejor cuartil: Q2

SJR 2023: 0.604

Mejor cuartil: Q2

PUBLICACIONES DE LA UEX

Mechanistic Insights Into The Oxidative Degradation Of Formic And Oxalic Acids With Ozone And Oh Radical. A Computational Rationale (2023)

Theoretical Kinetics Study Of The F(2p) + Nh3hydrogen Abstraction Reaction (J. Phys. Chem. A (2014) 118:3 (554-560) Doi: 10.1021/jp4118453) (2021)

How Methylation Modifies The Photophysics Of The Native All- Trans -Retinal Protonated Schiff Base: A Caspt2/md Study In Gas Phase And In Methanol (2018)

Quasi-Classical Trajectory Dynamics Study Of The Cl(2p) + C2h6 → Hcl(V,j) + C2h5 Reaction. Comparison With Experiment (2018)

Theoretical Study Of The Pair-Correlated F + Chd3(V = 0,ν1 = 1) Reaction: Effect Of Ch Stretching Vibrational Excitation (2017)

Quasiclassical Trajectory Study On The Role Of Ch-Stretching Vibrational Excitation In The F(2p) + Chd3(V1=0,1) Reactions (2016)

Comment On Correlated Dynamics Of The O(3p) + Chd3(V =0) Reaction: A Joint Crossed-Beam And Quasiclassical Trajectory Study (2015)

Rethinking Aromaticity In H-Bonded Systems. Caveats For Transition Structures Involving Hydrogen Transfer And Π-Delocalization (2015)

Substituent And Solvent Effects On The Uv-Vis Absorption Spectrum Of The Photoactive Yellow Protein Chromophore (2015)

Quasi-Classical Trajectory Study Of The Vibrational And Translational Effects On The O(3p) + Cd4 Reaction (2014)

Theoretical Kinetics Study Of The O(3p) + Ch4/cd 4 Hydrogen Abstraction Reaction: The Role Of Anharmonicity, Recrossing Effects, And Quantum Mechanical Tunneling (2014)

Theoretical Kinetics Study Of The F(2p) + Nh3 Hydrogen Abstraction Reaction (2014)

Co2 Vibrational State Distributions From Quasi-Classical Trajectory Studies Of The Ho + Co → H + Co2 Reaction And H + Co2 Inelastic Collision (2013)

Role Of Vibrational And Translational Energy In The Oh + Nh3 Reaction: A Quasi-Classical Trajectory Study (2013)

Theoretical Study Of The F + Nh3 And F + Nd3 Reactions: Mechanism And Comparison With Experiment (2011)

Using Molecular Dynamics And Quantum Mechanics Calculations To Model Fluorescence Observables (2011)

Analytical Potential Energy Surface And Kinetics Of The Nh3 + H -Nh2 + H2 Hydrogen Abstraction And The Ammonia Inversion Reactions (2010)

Quasi-Classical Trajectory Calculations Of The Hydrogen Abstraction Reaction H + Nh3 (2010)

Reaction-Path Dynamics Calculations Of The Cl + Nh3 Hydrogen Abstraction Reaction: The Role Of The Intermediate Complexes (2010)

Theoretical Study Of The Neutral Hydrolysis Of Hydrogen Isocyanate In Aqueous Solution Via Assisted-Concerted Mechanisms (2009)

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