JournalTOCs

Journal of Physical Chemistry A
Journal Prestige (SJR): 1.17

Citation Impact (citeScore): 3
Number of Followers: 28

Hybrid journal (It can contain Open Access articles)
ISSN (Print) 1089-5639 - ISSN (Online) 1520-5215
Published by ACS

[69 journals]

[ASAP] Impact of π‑Conjugation Length on the Excited-State Dynamics of
Star-Shaped Carbazole-π-Triazine Organic Chromophores
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  Authors: Daniel Streater; Korlan Duisenova, Jian Luo, Kevin L. Kohlstedt, Jian Zhang, Jier Huang
  Abstract: The Journal of Physical Chemistry A
  DOI : 10.1021/acs.jpca.2c00682
  PubDate: Fri, 20 May 2022 04:00:00 GMT
Ab+Initio+Ground+Potential+Energy+Surface&rft.title=Journal+of+Physical+Chemistry+A&rft.issn=1089-5639&rft.date=2022&rft.volume=&rft.aulast=Naskar&rft.aufirst=Koushik&rft.au=Koushik+Naskar&rft.au=Sandip+Ghosh,++Satrajit+Adhikari">[ASAP] Accurate Calculation of Rate Constant and Isotope Effect for the F
+ H2 Reaction by the Coupled 3D Time-Dependent Wave Packet Method on the
Newly Constructed Ab Initio Ground Potential Energy Surface
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  Authors: Koushik Naskar; Sandip Ghosh, Satrajit Adhikari
  Abstract: The Journal of Physical Chemistry A
  DOI : 10.1021/acs.jpca.2c01209
  PubDate: Fri, 20 May 2022 04:00:00 GMT
[ASAP] Mechanistic Insights into Cobalt-Based Water Oxidation Catalysis by
DFT-Based Molecular Dynamics Simulations
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  Authors: Koteswara Rao Gorantla; Bhabani S. Mallik
  Abstract: The Journal of Physical Chemistry A
  DOI : 10.1021/acs.jpca.2c01043
  PubDate: Fri, 20 May 2022 04:00:00 GMT
[ASAP] Development of Chemical Kinetics Models from Atomistic Reactive
Molecular Dynamics Simulations: Application to Iso-octane Combustion and
Rubber Ablative Degradation
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  Authors: Kiran Sasikumar; Raghavan Ranganathan, Srujan Rokkam, Tapan Desai◊, Richard Burnes, Peter Cross
  Abstract: The Journal of Physical Chemistry A
  DOI : 10.1021/acs.jpca.2c00901
  PubDate: Thu, 19 May 2022 04:00:00 GMT
[ASAP] Correction to “Vibronic Coupling Effect on the Vibrationally
Resolved Electronic Spectra and Intersystem Crossing Rates of a TADF
Emitter: 7‑PhQA”
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  Authors: Sirong Lin; Zheng Pei, Bin Zhang, Huili Ma, WanZhen Liang
  Abstract: The Journal of Physical Chemistry A
  DOI : 10.1021/acs.jpca.2c03179
  PubDate: Thu, 19 May 2022 04:00:00 GMT
[ASAP] Excited Electronic State Cross Sections for Group 3 Halide and
Oxide Production: Evaluating Relative Excited-State Quantum Yields
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  Authors: Carl L. Chalek; James L. Gole, David A. Dixon
  Abstract: The Journal of Physical Chemistry A
  DOI : 10.1021/acs.jpca.2c01780
  PubDate: Thu, 19 May 2022 04:00:00 GMT
[ASAP] Formation of the Elusive Silylenemethyl Radical (HCSiH2; X2B2) via
the Unimolecular Decomposition of Triplet Silaethylene (H2CSiH2; a3A″)
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  Authors: Chao He; Aaron M. Thomas, Beni B. Dangi, Tao Yang, Ralf I. Kaiser, Huan-Cheng Lee, Bing-Jian Sun, Agnes H. H. Chang
  Abstract: The Journal of Physical Chemistry A
  DOI : 10.1021/acs.jpca.2c01853
  PubDate: Wed, 18 May 2022 04:00:00 GMT
G ₀ W ₀+Method+That+Scales+Linearly+up+to+Tens+of+Thousands+of+Cores&rft.title=Journal+of+Physical+Chemistry+A&rft.issn=1089-5639&rft.date=2022&rft.volume=&rft.aulast=Umari&rft.aufirst=Paolo&rft.au=Paolo+Umari">[ASAP] A Fully Linear Response G 0 W 0 Method That Scales Linearly up to
Tens of Thousands of Cores
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  Authors: Paolo Umari
  Abstract: The Journal of Physical Chemistry A
  DOI : 10.1021/acs.jpca.2c01328
  PubDate: Wed, 18 May 2022 04:00:00 GMT
[ASAP] Weakly Bound Complex Formation between HCN and CH3Cl: A
Matrix-Isolation and Computational Study
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  Authors: Emily K. Hockey; Korina Vlahos, Thomas Howard, Jessica Palko, Leah G. Dodson
  Abstract: The Journal of Physical Chemistry A
  DOI : 10.1021/acs.jpca.2c00716
  PubDate: Wed, 18 May 2022 04:00:00 GMT
[ASAP] Electric Properties of Photochromic Molecules Physisorbed on Silver
and Copper Nanoparticles
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  Authors: Andreas Erbs Hillers-Bendtsen; Frederik Ørsted Kjeldal, Kurt V. Mikkelsen
  Abstract: The Journal of Physical Chemistry A
  DOI : 10.1021/acs.jpca.2c01003
  PubDate: Wed, 18 May 2022 04:00:00 GMT
[ASAP] Free-Energy Landscape and Isomerization Rates of Au4 Clusters at
Finite Temperatures
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  Authors: Jiale Shi; Shanghui Huang, François Gygi, Jonathan K. Whitmer
  Abstract: The Journal of Physical Chemistry A
  DOI : 10.1021/acs.jpca.2c02732
  PubDate: Wed, 18 May 2022 04:00:00 GMT
n +(n+=+2–14)+Clusters:+A+Combined+Experimental+and+Theoretical+Investigation&rft.title=Journal+of+Physical+Chemistry+A&rft.issn=1089-5639&rft.date=2022&rft.volume=&rft.aulast=Bhattacharyya&rft.aufirst=Soumen&rft.au=Soumen+Bhattacharyya&rft.au=Debashis+Bandyopadhyay,++Sheo+Mukund,++Prasenjit+Sen,++Sanjay+G.+Nakhate">[ASAP] Ionization Energies and Ground-State Structures of Neutral La n (n
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  Authors: Soumen Bhattacharyya; Debashis Bandyopadhyay, Sheo Mukund, Prasenjit Sen, Sanjay G. Nakhate
  Abstract: The Journal of Physical Chemistry A
  DOI : 10.1021/acs.jpca.2c00967
  PubDate: Tue, 17 May 2022 04:00:00 GMT
[ASAP] Evaporation and Molecular Beam Scattering from a Flat Liquid Jet
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  Authors: Chin Lee; Marvin N. Pohl, Isaac A. Ramphal, Walt Yang, Bernd Winter, Bernd Abel, Daniel M. Neumark
  Abstract: The Journal of Physical Chemistry A
  DOI : 10.1021/acs.jpca.2c01174
  PubDate: Tue, 17 May 2022 04:00:00 GMT
[ASAP] Anatomy of Classical Boron–Boron Bonding: Overlap and sp
Dissonance
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  Authors: Pattath D. Pancharatna; Sohail H. Dar, Unmesh D. Chowdhury, Musiri M. Balakrishnarajan
  Abstract: The Journal of Physical Chemistry A
  DOI : 10.1021/acs.jpca.2c01981
  PubDate: Tue, 17 May 2022 04:00:00 GMT
[ASAP] Chiral-Induced Spin Selectivity in Capacitively Coupled Molecules
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  Authors: Per Hedegård
  Abstract: The Journal of Physical Chemistry A
  DOI : 10.1021/acs.jpca.2c01156
  PubDate: Mon, 16 May 2022 04:00:00 GMT
[ASAP] Real Temperature Model of Dynamic Disorder in Molecular Crystals
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  Authors: Zachary J. Knepp; Lisa A. Fredin
  Abstract: The Journal of Physical Chemistry A
  DOI : 10.1021/acs.jpca.2c02120
  PubDate: Fri, 13 May 2022 04:00:00 GMT
[ASAP] Endohedral σ‑Diradical Nitrogen-Vacancy Diamond Nanoclusters
with a Confined Magnetic Space and Strong Electronic Spin Couplings
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  Authors: Zhilu Zhang; Qi Wang, Yamin Song, Yuxiang Bu, Xinyu Song
  Abstract: The Journal of Physical Chemistry A
  DOI : 10.1021/acs.jpca.2c01709
  PubDate: Fri, 13 May 2022 04:00:00 GMT
[ASAP] Rotational and Vibrational Spectra of the Pyridyl Radicals: A
Coupled-Cluster Study
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  Authors: Kelly S. Meyer; John H. Westerfield, Sommer L. Johansen, Jasmine Keane, Anna C. Wannenmacher, Kyle N. Crabtree
  Abstract: The Journal of Physical Chemistry A
  DOI : 10.1021/acs.jpca.2c01761
  PubDate: Fri, 13 May 2022 04:00:00 GMT
[ASAP] Mechanisms and Kinetics Studies of Butylated Hydroxytoluene
Degradation to Isobutene
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  Authors: Junwei Zhou; Hongrui Chen, Jianfa Chen, Daihong Wan, Huikun Zhang, Rong Wang, Daiqian Xie, Chengli Mao
  Abstract: The Journal of Physical Chemistry A
  DOI : 10.1021/acs.jpca.2c01961
  PubDate: Fri, 13 May 2022 04:00:00 GMT
N‑Sulfonyl+Trifluoromethylated+Ketimine+Catalyzed+by+N‑Heterocyclic+Carbene&rft.title=Journal+of+Physical+Chemistry+A&rft.issn=1089-5639&rft.date=2022&rft.volume=&rft.aulast=Shen&rft.aufirst=Jingyi&rft.au=Jingyi+Shen&rft.au=Yan+Zhang,++Ying+Xue">[ASAP] Theoretical Insights into Enantioselective [3 + 2] Cycloaddition
between Cinnamaldehyde and Cyclic N‑Sulfonyl Trifluoromethylated
Ketimine Catalyzed by N‑Heterocyclic Carbene
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  Authors: Jingyi Shen; Yan Zhang, Ying Xue
  Abstract: The Journal of Physical Chemistry A
  DOI : 10.1021/acs.jpca.2c00900
  PubDate: Thu, 12 May 2022 04:00:00 GMT
q +and+B₃Si₂ ^p+Clusters:+The+Smallest+Aromatic+Ribbons&rft.title=Journal+of+Physical+Chemistry+A&rft.issn=1089-5639&rft.date=2022&rft.volume=&rft.aulast=Duong&rft.aufirst=Long&rft.au=Long+Van+Duong&rft.au=Nguyen+Ngoc+Tri,++Nguyen+Phi+Hung,++Minh+Tho+Nguyen">[ASAP] Boron Silicon B2Si3 q and B3Si2 p Clusters: The Smallest Aromatic
Ribbons
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  Authors: Long Van Duong; Nguyen Ngoc Tri, Nguyen Phi Hung, Minh Tho Nguyen
  Abstract: The Journal of Physical Chemistry A
  DOI : 10.1021/acs.jpca.2c00540
  PubDate: Thu, 12 May 2022 04:00:00 GMT
[ASAP] Distribution Pattern of Metal Atoms in Bimetal-Doped Pyridinic–N4
Pores Determines Their Potential for Electrocatalytic N2 Reduction
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  Authors: Parisa Nematollahi; Erik C. Neyts
  Abstract: The Journal of Physical Chemistry A
  DOI : 10.1021/acs.jpca.2c00486
  PubDate: Thu, 12 May 2022 04:00:00 GMT
[ASAP] Conical Shape Fluctuations Determine the Rate of Ion Evaporation
and the Emitted Cluster Size Distribution from Multicharged Droplets
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  Authors: Victor Kwan; Styliani Consta
  Abstract: The Journal of Physical Chemistry A
  DOI : 10.1021/acs.jpca.2c02056
  PubDate: Thu, 12 May 2022 04:00:00 GMT
[ASAP] Photoelectron Spectroscopy and High-Level Ab Initio Calculations of
the Iodide–Methylperoxy Radical Complex
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  Authors: Peter D. Watson; Allan J. McKinley, Duncan A. Wild
  Abstract: The Journal of Physical Chemistry A
  DOI : 10.1021/acs.jpca.2c00299
  PubDate: Thu, 12 May 2022 04:00:00 GMT
[ASAP] Diabatic Valence-Hole States in the C2 Molecule: “Putting Humpty
Dumpty Together Again”
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  Authors: Jun Jiang; Hong-Zhou Ye, Klaas Nauta, Troy Van Voorhis, Timothy W. Schmidt, Robert W. Field
  Abstract: The Journal of Physical Chemistry A
  DOI : 10.1021/acs.jpca.2c00495
  PubDate: Wed, 11 May 2022 04:00:00 GMT
[ASAP] Reactions of Atomic Thorium and Uranium Cations with SF6 Studied by
Guided Ion Beam Tandem Mass Spectrometry
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  Authors: Amanda R. Bubas; Anna C. Iacovino, P.B. Armentrout
  Abstract: The Journal of Physical Chemistry A
  DOI : 10.1021/acs.jpca.2c02090
  PubDate: Wed, 11 May 2022 04:00:00 GMT
[ASAP] Influence of an Oriented External Electric Field on the Mechanism
of Double Proton Transfer between Pyrazole and Guanidine: from an
Asynchronous Plateau Transition State to a Synchronous or Stepwise
Mechanism
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  Authors: Antoine Geoffroy-Neveux; Vanessa Labet, M. Esmail Alikhani
  Abstract: The Journal of Physical Chemistry A
  DOI : 10.1021/acs.jpca.1c10553
  PubDate: Wed, 11 May 2022 04:00:00 GMT
[ASAP] Anharmonicity and the IR Emission Spectrum of Neutral Interstellar
PAH Molecules
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  Authors: Cameron J. Mackie; Alessandra Candian, Timothy J. Lee, Alexander G. G. M. Tielens
  Abstract: The Journal of Physical Chemistry A
  DOI : 10.1021/acs.jpca.2c01849
  PubDate: Wed, 11 May 2022 04:00:00 GMT
N‑Methylmethanimine+(CH₃NCH₂):+A+Theoretical+and+Experimental+Study&rft.title=Journal+of+Physical+Chemistry+A&rft.issn=1089-5639&rft.date=2022&rft.volume=&rft.aulast=Bunkan&rft.aufirst=Arne&rft.au=Arne+Joakim+C.+Bunkan&rft.au=Nina+G.+Reijrink,++Tomáš+Mikoviny,++Markus+Müller,++Claus+J.+Nielsen,++Liang+Zhu,++Armin+Wisthaler">[ASAP] Atmospheric Chemistry of N‑Methylmethanimine (CH3NCH2): A
Theoretical and Experimental Study
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  Authors: Arne Joakim C. Bunkan; Nina G. Reijrink, Tomáš Mikoviny, Markus Müller, Claus J. Nielsen, Liang Zhu, Armin Wisthaler
  Abstract: The Journal of Physical Chemistry A
  DOI : 10.1021/acs.jpca.2c01925
  PubDate: Wed, 11 May 2022 04:00:00 GMT
[ASAP] Reactive Molecular Dynamics Simulations of the Depolymerization of
Polyethylene Using Graphene-Oxide-Supported Platinum Nanoparticles
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  Authors: Wengang Zhang; Francis W. Starr, Kathryn L. Beers, Jack F. Douglas
  Abstract: The Journal of Physical Chemistry A
  DOI : 10.1021/acs.jpca.2c01167
  PubDate: Mon, 09 May 2022 04:00:00 GMT