Portal Investigación UEx

PORTAL DE INVESTIGACIÓN

REVISTA

THEORETICAL CHEMISTRY ACCOUNTS

ISSN

1432-881X

EISSN

1432-2234

JCR 2023: 1.6

Mejor cuartil: Q4

SJR 2023: 0.345

Mejor cuartil: Q3

PUBLICACIONES DE LA UEX

Intermediate Complexes And Activation Energy For The Cl(2p) + Sih4 Hydrogen Abstraction Reaction: A Difficult Case (2021)

Kinetics Theoretical Study Of The O(3p) + C2h6 Reaction On An Ab Initio-Based Global Potential Energy Surface (2020)

Rethinking The Description Of Water Product In Polyatomic Oh/od + Xh (X ≡ D, Br, Nh2 And Geh3) Reactions: Theory/experimental Comparison (2020)

Qct Study Of The Vibrational And Translational Role In The H + C2h6(Ν 1, Ν 2, Ν 5, Ν 7, Ν 9 And Ν 10) Reactions (2019)

State-To-State Dynamics Of The Cl(2p) + C2h6(Ν 5, Ν 1 = 0, 1) → Hcl(V′, J′) + C2h5 Hydrogen Abstraction Reactions (2019)

Theoretical And Experimental Revision Of The Water Bending Excitation In The Oh/od + Geh4 Reactions (2019)

The Optical Properties Of Adenine Cation In Different Oligonucleotides: A Pcm/td-Dft Study (2018)

Theoretical Simulation Of Experimental Imaging Results For The Isotopic H + Ch4/cd4 Reactions (2018)

Vibrational Distribution And Dynamics Study Of The Hcn(V 1, V 2, V 3) Product In The Cn + Ch4 Hydrogen Abstraction Reaction (2017)

Theoretical Determination Of Aqueous Acid–base Pk Values: Electronic Structure Calculations And Steered Molecular Dynamic Simulations (2016)

Vibrational, Rotational And Translational Effects On The Oh(V, J) + Ch4(V 1, V 2, V 3, V 4) Dynamics Reaction: A Quasi-Classical Trajectory Study (2016)

Preface To The Espa-2014 Special Issue (2015)

Qct Dynamics Study Of The Reaction Of Hydroxyl Radical And Methane Using A New Ab Initio Fitted Full-Dimensional Analytical Potential Energy Surface (2015)

Isotope Effects On The Dynamics Properties And Reaction Mechanism In The Cl(2p) + Nh3 Reaction: A Qct And Qm Study (2013)

Theoretical Study Of The Conformational Equilibrium Of 1,4-Dioxane In Gas Phase, Neat Liquid, And Dilute Aqueous Solutions (2013)

Kinetics And Dynamics Study Of The H + Ccl4 → Hcl(V′, J′) + Ccl3 Reaction (2011)

Theoretical Study Of The Role Of Solvent Stark Effect In Electron Transitions (2011)

Molecular Dynamics Study Of Formamidine Decomposition In Gas And Solution Phases Via Free Energy Curves From Ab Initio Interaction Potentials (2010)

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