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the journal of physical chemistry a

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ncbi
Short Name j phys chem a
Abbreviated Name j phys chem a
ISSN 1520-5215
Aim and Scope
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Publications Per Year

Recent Articles (27 total)

2019
BN-Doped Graphene and Single-Walled Carbon Nanotubes for the Catalysis of S2 Reactions: Insights From DFT Modeling.
Alves, Inês;Magalhaes, Alexandre Lopes;
372 views DOI Abstract
2019
Infrared-Spectroscopic Study of (4-Methylpent-3-en-1-ynyl)methylthiocarbene, Its Photochemical Transformations, and Reactions in an Argon Matrix.
Baskir, Esfir G;Gvozdev, Valentin D;Shavrin, Konstantin N;Egorov, Mikhail P;Nefedov, Oleg M;
Vol. 123 , No. 42 , pp. 9175-9184
371 views DOI Abstract
2005
Novel mesoporous solid superacidic catalysts: activity and selectivity in the synthesis of thymol by isopropylation of m-cresol with 2-propanol over UDCaT-4, -5, and -6.
Yadav, Ganapati D;Pathre, Ganesh S;
Vol. 109 , No. 48 , pp. 11080-8
369 views Abstract
2017
Quantum Chemical Study of Supercritical Carbon Dioxide Effects on Combustion Kinetics.
Masunov, Artëm E;Wait, Elizabeth E;Atlanov, Arseniy A;Vasu, Subith S;
Vol. 121 , No. 19 , pp. 3728-3735
353 views DOI Abstract
2019
Blue Phosphorescent trans-N-Heterocyclic Carbene Platinum Acetylides. Dependence on Energy Gap and Conformation.
Bullock, James D;Valandro, Silvano R;Sulicz, Amanda N;Zeman, Charles J;Abboud, Khalil A;Schanze, Kirk S;
336 views DOI Abstract
2019
Oxidation Kinetics and Thermodynamics of Resonance-Stabilized Radicals: The Pent-1-en-3-yl + O Reaction.
Döntgen, Malte;Pekkanen, Timo T;Joshi, Satya P;Timonen, Raimo S;Eskola, Arkke J;
322 views DOI Abstract
2020
Spectra and Photorelaxation of Hydroxyphenyl-benzotriazole-Type UV Absorbers: From Monomers to Nanoparticles.
Naumov, Sergej;Herzog, Bernd;Abel, Bernd;
306 views DOI Abstract
2020
Proton-Induced Charge Transfer on Imidazole and 2- Aminoimidazole. Role of the Substituent and Influence of Stepwise Hydration.
Kerkeni, Boutheïna;Bacchus-Montabonel, Marie-Christine;
299 views DOI Abstract
2019
Accurate Thermochemistry of Novel Energetic Fused Tricyclic 1,2,3,4-Tetrazine Nitro Derivatives from Local Coupled Cluster Methods.
Kiselev, Vitaly G;Goldsmith, C Franklin;
295 views DOI Abstract
2019
Aminofluoresceins vs Fluorescein: Ascertained New Unusual Features of Tautomerism and Dissociation of Hydroxyxanthene Dyes in Solution.
Mchedlov-Petrossyan, Nikolay O;Cheipesh, Tatyana A;Shekhovtsov, Sergey V;Ushakova, Elena V;Roshal, Alexander D;Omelchenko, Iryna V;
293 views DOI Abstract
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