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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.British Journal of Pharmacology|February 3, 2005
CGH2466, a combined adenosine receptor antagonist, p38 mitogen-activated protein kinase and phosphodiesterase type 4 inhibitor with potent in vitro and in vivo anti-inflammatory activitiesAlexandre Trifilieff, Thomas H Keller, Neil J Press, 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.Journal of Chemical Information and Modeling|January 30, 2010
A surface-integral model for log P OWChristian Kramer, Bernd Beck, Timothy ClarkJournal of Chemical Information and Modeling|May 18, 2018
mmpdb: An Open-Source Matched Molecular Pair Platform for Large Multiproperty Data SetsAndrew Dalke, Jérôme Hert, Christian KramerJournal of Chemical Information and Modeling|May 2, 2017
Matched Molecular Series: Measuring SAR SimilarityEmanuel S R Ehmki, Christian KramerPageof 34