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The Journal of Physical Chemistry A

IF2.8
Papers685
Citations5
Journal Papers 664
Publication Date
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Platinum-Acetylide-Based Small Molecule Donors for High-Efficiency T-OPVs: A Theoretical Exploration of Optimized ISC and Charge Transfer Dynamics
deleteThe Journal of Physical Chemistry A
IF2.8
delete2026-07-12
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deleteShuangbao Li; Zi’an Wang; Lingfeng Sheng; Zhongmin Su
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Steering Diels–Alder Reaction with Mechanical Force: Structure Deformation versus Electron Rearrangement
deleteThe Journal of Physical Chemistry A
IF2.8
delete2026-07-12
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deleteWeijie Huang; Junchao Liao; Xuan Wang; Xiaofei Xu; Weiqiang Tang; Shuangliang Zhao
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Effect of Fluorination on Excited-State Dynamics in Methyl Salicylate: A Surface-Hopping Dynamics Study
deleteThe Journal of Physical Chemistry A
IF2.8
delete2026-07-12
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deletePriyanka Chakraborty; Aditya N. Panda
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Stability of Mono-Hydrated Ether Complexes in the Gas-Phase at Room Temperature
deleteThe Journal of Physical Chemistry A
IF2.8
delete2026-07-11
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deleteDhritabrata Pal; Amalie Rosager Kristensen; Henrik G. Kjaergaard
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Calculation of Integrated Vibrational Band Intensities for Molecules with Large Amplitude Motions
deleteThe Journal of Physical Chemistry A
IF2.8
delete2026-07-11
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deleteFalk Richter
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1-; 2-; and 3-Electron Pancake Bonds in Covalent Scaffolds: Redox Modulation of Through-Space Exchange in Blatter Diradicals
deleteThe Journal of Physical Chemistry A
IF2.8
delete2026-07-10
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deleteSamuel O. Odoh
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Substituent Effects on Excited-State Relaxation of N; N′-Bis(salicylidene)-p-phenylenediamine: A Comparative Study of BSP and S-BSP
deleteThe Journal of Physical Chemistry A
IF2.8
delete2026-07-09
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deleteXin-Yu Zhang; Tian-Lan Liao; Shu-Hua Xia
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Mechanistic Insights into the Antioxidant and Pro-oxidant Behaviors of Uric Acid in the Presence of Cu(II)
deleteThe Journal of Physical Chemistry A
IF2.8
delete2026-07-09
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deleteNghia Huu Phan; Pham Vu Nhat; Dang T. Nguyen
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Computational Insights into the Mechanism of [4 + 2] Cycloaddition of Aza-ortho-quinone Methides with Terminal Alkynes
deleteThe Journal of Physical Chemistry A
IF2.8
delete2026-07-08
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deleteWenbo Zhang; Yue Li; Pei Zhao; Qingqing Yao; Xu Yan; Yanzhi Liu; Kun Yuan
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Vibrational and Structural Properties of Aqueous H2SO4 and Na2SO4 Systems from Ambient to Supercritical Conditions: A Comparative Study between GGA(-D3) and r2SCAN Functionals
deleteThe Journal of Physical Chemistry A
IF2.8
delete2026-07-08
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deleteRajorshi Chattopadhyay; Sandro Jahn
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The Sigma Ring and Other Distinctive Features of Surface Potentials of Group 1 Systems
deleteThe Journal of Physical Chemistry A
IF2.8
delete2026-07-08
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deleteKelling J. Donald; Victoria Rankin; Brice Di Carlo; Jonathan E. Findley; Ethan B. Leonard
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Modeling DOTA Decarboxylation in the Context of α-Radiolysis Using DFT Calculations
deleteThe Journal of Physical Chemistry A
IF2.8
delete2026-07-08
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deleteArmando de Rezende; Letícia S. Braga; Adélia J. A. Aquino; Jean-François Lucchini
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A Three-Phase Distribution Method for Quantifying the Intermolecular Interactions
deleteThe Journal of Physical Chemistry A
IF2.8
delete2026-07-06
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deleteShun Konno; Taisuke Araki; Tomoya Oonuki; Takeshi Hasegawa
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On the Nonparametric Diabatization of Coupled Electronic States
deleteThe Journal of Physical Chemistry A
IF2.8
delete2026-07-06
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deleteYuchen Wang
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The Infrared Spectra of Neutral Dimethyl-Sulfide; -Disulfide and -Sulfoxide Biomarkers in Molecular Beams
deleteThe Journal of Physical Chemistry A
IF2.8
delete2026-07-05
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deleteMats Kuipers; Laura Pille; Lucas Schwob; Bart Oostenrijk; Daria Ruth Galimberti; Rens Waters; Shang-Min Tsai; Piero Ferrari
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Porphyrin Aggregation Revisited: From the Four-Orbital Gouterman Model to an Eight-Orbital Framework in Porphin H-Dimers
deleteThe Journal of Physical Chemistry A
IF2.8
delete2026-07-03
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deleteJannes Förster; Leo Cordsmeier; Vinícius Vaz da Cruz; Alexander Föhlisch
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Unraveling the Electronic Origin of Selectivity in Ambimodal Transition States with Valence Bond Theory
deleteThe Journal of Physical Chemistry A
IF2.8
delete2026-07-03
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deleteCaiyun Zhang; Wei Wu; Chen Zhou
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Modeling the Clustering of Fumaric/Maleic Acid with Water and Na+; Cl– Ions
deleteThe Journal of Physical Chemistry A
IF2.8
delete2026-07-02
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deleteGeorg Baadsgaard Trolle; Jonas Elm
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Determining Binding Energies of Key Fluorinated Refrigerants 1; 1; 1; 2-Tetrafluoroethane; 2; 3; 3; 3-Tetrafluoropropene; and 3; 3; 3-Trifluoropropene
deleteThe Journal of Physical Chemistry A
IF2.8
delete2026-07-02
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deleteKoushik Mondal; Mason McAnally; Nils Melbourne; Andrew M. Turner; Alexandre Bergantini; Rui Sun; Ralf I. Kaiser
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Twisted-Driven Photoionization of Aligned Chiral Molecules: Signatures of Circular and Helical Dichroism
deleteThe Journal of Physical Chemistry A
IF2.8
delete2026-07-02
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deleteJiahao Duan; Maomao Gong; Yongjun Cheng; Song Bin Zhang
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