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The Journal of Physical Chemistry. A|December 27, 2018
Perturbation Improved Natural Linear-Scaled Coupled-Cluster Method and Its Application to Conformational AnalysisYifan Jin, Rodney J Bartlett
The Journal of Physical Chemistry. A|January 5, 2019
Canonical Approach To Generate Multidimensional Potential Energy SurfacesJay R Walton, Luis A Rivera-Rivera, Robert R Lucchese, et al.
The Journal of Physical Chemistry. A|January 5, 2019
Gas-Phase Ozone Reactions with a Structurally Diverse Set of Molecules: Barrier Heights and Reaction Energies Evaluated by Coupled Cluster and Density Functional Theory CalculationsDaniela Trogolo, J Samuel Arey, Peter R Tentscher
The Journal of Physical Chemistry. A|January 5, 2019
Conformational Preferences of Isolated Glycylglycine (Gly-Gly) Investigated with IRMPD-VUV Action Spectroscopy and Advanced Computational ApproachesVasyl Yatsyna, Ranim Mallat, Tim Gorn, et al.
The Journal of Physical Chemistry. A|January 5, 2019
Kinetics of the Methyl-Vinyl Radical + O2 Reactions Associated with Propene OxidationSatya P Joshi, Timo T Pekkanen, Raimo S Timonen, et al.
The Journal of Physical Chemistry. A|December 27, 2018
Bath Gas Mixture Effects on Multichannel Reactions: Insights and Representations for Systems beyond Single-Channel ReactionsLei Lei, Michael P Burke
The Journal of Physical Chemistry. A|December 20, 2018
Tuning Optical Properties of Chalcone Derivatives: A Computational StudyImene Bayach, Anthony D'Aleó, Patrick Trouillas
The Journal of Physical Chemistry. A|December 20, 2018
Determination of Hyperfine Coupling Constants of Fluorinated Diphenylacetylene Radical Anions by Magnetic Field-Affected Reaction Yield SpectroscopyVictoria A Sannikova, Maria P Davydova, Peter S Sherin, et al.
The Journal of Physical Chemistry. A|January 4, 2019
IVR Dynamics of Vibrational Levels of the ν1 Mode in (CF3)2C═C═O Molecules Excited by Resonant IR Femtosecond RadiationVladimir B Laptev, Victor O Kompanets, Sergey V Pigulsky, et al.
The Journal of Physical Chemistry. A|January 5, 2019
Cl Atom Initiated Photo-oxidation of Mono-chlorinated Propanes To Form Carbonyl Compounds: A Kinetic and Mechanistic ApproachAvinash Kumar, B Rajakumar
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