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Physical Chemistry Chemical Physics : PCCP|May 5, 2021
The C(3P) + O2(3Σg-) → CO2 ↔ CO(1Σ+) + O(1D)/O(3P) reaction: thermal and vibrational relaxation rates from 15 K to 20 000 KJuan Carlos San Vicente Veliz, Debasish Koner, Max Schwilk, et al.
Structural Dynamics (Melville, N.Y.)|January 23, 2016
Following the molecular motion of near-resonant excited CO on Pt(111): A simulated x-ray photoelectron diffraction study based on molecular dynamics calculationsMichael Greif, Tibor Nagy, Maksym Soloviov, et al.
Physical Chemistry Chemical Physics : PCCP|February 5, 2020
The N(4S) + O2(X3Σ) ↔ O(3P) + NO(X2Π) reaction: thermal and vibrational relaxation rates for the 2A', 4A' and 2A'' statesJuan Carlos San Vicente Veliz, Debasish Koner, Max Schwilk, et al.
The Journal of Chemical Physics|April 2, 2022
Photodissociation dynamics of N3Sarbani Patra, Juan Carlos San Vicente Veliz, Debasish Koner, et al.
Physical Chemistry Chemical Physics : PCCP|September 27, 2022
Quantum and quasi-classical dynamics of the C(3P) + O2(3Σ-g) → CO(1Σ+) + O(1D) reaction on its electronic ground stateSugata Goswami, Juan Carlos San Vicente Veliz, Meenu Upadhyay, et al.
Physical Chemistry Chemical Physics : PCCP|October 21, 2025
Dynamics of protonated oxalate from machine-learned simulations and experiment: infrared signatures, proton transfer dynamics and tunneling splittingsValerii Andreichev, Silvan Käser, Erica L Bocanegra, et al.
Structural Dynamics (Melville, N.Y.)|August 23, 2016
Erratum: "Following the molecular motion of near-resonant excited CO on Pt(111): A simulated x-ray photoelectron diffraction study based on molecular dynamics calculations" [Struct. Dyn. 2, 035102 (2015)]Michael Greif, Tibor Nagy, Maksym Soloviov, et al.
The Journal of Physical Chemistry. B|April 9, 2013
Scoring multipole electrostatics in condensed-phase atomistic simulationsTristan Bereau, Christian Kramer, Fabien W Monnard, et al.
The Journal of Organic Chemistry|December 30, 2015
Charge Transfer Pathways in Three Isomers of Naphthalene-Bridged Organic Mixed Valence CompoundsHauke C Schmidt, Mariana Spulber, Markus Neuburger, et al.
The Journal of Chemical Physics|August 19, 2025
Reaction dynamics for the [NNO] system from state-resolved and coarse-grained modelsJuan Carlos San Vicente Veliz, Sung Min Jo, Jingchun Wang, et al.
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