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Journal of Physical Chemistry A cover

Journal of Physical Chemistry A

IF2.8
Papers1200
Citations60459
Journal Papers 965
Publication Date
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A Chemical Space Perspective on Diastereomeric Barriers in Alkylperoxy-to-Hydroperoxyalkyl Isomerization
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deleteRaghunathan Ramakrishnan
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Observations-Based Approach to the Estimation of the Oxidizing Capacity of the Atmosphere of Central London over the 2000–2024 Period
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deleteM. Anwar H. Khan; Richard G. Derwent; Frank A. F. Winiberg; Carl J. Percival; Dudley E. Shallcross
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The Vibrational Raman Optical Activity of β-Propiolactone Derivatives Computed with Coupled-Cluster Theory
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deleteMya S. Pederson; Luther D. Crum; Ethan J. Poncelet; Brendan M. Shumberger; T. Daniel Crawford; Rollin A. King
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Unraveling the Catalytic Role of Metal- and Halide-Free Phosphonium Systems in CO2 Transformation
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deleteAhmed G. B. Hofny; Ashour A. Ahmed; Fatma S. M. Hassan; M. A. El Taher; Morad M. El-Hendawy
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IR Spectroscopy of Gas-Phase Protonated Water–Acetonitrile Clusters: Comparison of the Clusters in the Condensed Phase and Gas Phase
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deleteKohei Chiba; Asuka Fujii
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Effect of Multistructural Anharmonicity and Tunneling on H Abstraction from Propanal by H, OH, CH3, and C2H5
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deleteXue Zou; Jiuning He; Rong Chen; Jianhua Li; Xingzhi Wang; Lei Chen; Changhua Zhang; Deliang Chen
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Transient Absorption Spectroscopy of the Stilbenes in Methanol─Adiabatic cis→ trans Photoisomerization by Sequential Two-Photon Excitation
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deleteSumesh B. Krishnan; Joseph Sundar Raaj Vellore Winfred; Edwin F. Hilinski; Jack Saltiel; László Zimányi
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Polarizable Split-Charge Equilibration for Accurate Modeling of Nonbonded Interactions
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deleteTaehwan Jang; Minho M. Kim; Hoon Ryu; William A. Goddard, III; Hyungjun Kim
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KiMecO: A Kinetic Mechanism Optimizer for Experimentally Constrained Master Equation Models
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deleteClément Soulié; Judit Zádor; Leonid Sheps
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Chiral-Induced Spin Selectivity as a Driving Force in Enantiorecognition: A Generator-and-Reader Perspective
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deleteAndrea Stefani; Claudio Fontanesi
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Correction to “Mechanistic Insights into the Cascade Reactivity of 1,6-Enynes with Arylsulfonyl Chlorides”
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deleteSelçuk Eşsiz
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New Insights into the Combustion Reaction Kinetics of Ethylene/Nitrous Oxide Green Propellant at Intermediate Temperatures
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deleteHongqiang Zhang; Dan Liu; Yumeng Zhu; Mingwei Gong; Lidong Zhang; Xiaoyuan Zhang
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Collision-Induced Formation and Dissociation of Benzene–Hexafluorobenzene–Benzene Trimers: A Chemical Dynamics Study
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deleteBasudha Deb; Himashree Mahanta; Souvik Shaw; Amit Kumar Paul
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Quantified Interfacial Affinity of Hydrogen Sulfate and Sulfate Speciation in Model Marine Aerosol Particles
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deleteLeslie M. Ritchie; Madison B. Lester; Arun K. Sharma; Joshua D. Patterson
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Retraction of “Broadband Microwave Spectroscopy of 2-Furanyloxy Radical: Primary Pyrolysis Product of the Second-Generation Biofuel 2-Methoxyfuran”
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deleteChamara Abeysekera; A.O. Hernandez-Castillo; John F. Stanton; Timothy S. Zwier
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Existence of Distinct Equilibrium Configurations under Orienting External Electric Fields
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deleteDuc Anh Lai; Devin A. Matthews
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E2(η6–Be6H6) (E = Si–Pb): Doubly Aromatic Inverse-Sandwich Complexes
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deleteViviana Roman-Ventura; Dumer S. Sacanamboy; Williams García-Argote; Diego Inostroza; Luis Alvarez-Thon; Luis Leyva-Parra; William Tiznado
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The Open-Shell Organic Systems Database: Diverse CCSD(T)/CBS Reaction Energies for Assessing Density Functional Theory and Machine Learning Methods
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deleteAmir Karton
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Intermolecular Hydrogen Bonding Modulates Triplet–Triplet Annihilation Upconversion in a Cationic Sensitizer as Revealed by Transient Electronic Spectroscopy
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deleteDong-Xue Guo; Ying-Ze Li; Zi-Yu Wang; Xin-Yu Liu; Ting-Ting Xie; Qiu-Ting He; Lin-Han Jiang; Yun-Xi Liu; Jia-Yao Li; Wen-Jin An; Dai-Wen Pang; Ling Huang
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Reactivity of Nb3N3–xOx+ (x = 0–3) toward Methane: Ligand-Controlled Modulation of Nb–Nb σ Bonds
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deleteXiao-Xiao Liu; Xi-Guan Zhao; Yu-Zhe Hu; Zi-Yu Li; Sheng-Gui He
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