The Journal of Physical Chemistry A
Latest Publications

TOTAL DOCUMENTS

36753

(FIVE YEARS 2283)

H-INDEX

209

(FIVE YEARS 7)

Published By American Chemical Society

1520-5215, 1089-5639

Latest Documents Most Cited Documents Contributed Authors Related Sources Related Keywords

Analysis of Intermediates and Products from the Dehydrogenation of Mg(BH4)2

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.1c09690 ◽

2022 ◽

Author(s):

Iffat H. Nayyar ◽

Bojana Ginovska ◽

Mark Bowden ◽

Gary Edvenson ◽

Ba Tran ◽

...

Download Full-text

Reply to the “Comment on ‘On the Accuracy of the Direct Method to Calculate pKa from Electronic Structure Calculations’”

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.1c09364 ◽

2022 ◽

Author(s):

Felipe Ribeiro Dutra ◽

Cleuton de Souza Silva ◽

Rogério Custodio

Keyword(s):

Electronic Structure ◽

Direct Method ◽

Electronic Structure Calculations ◽

Structure Calculations

Download Full-text

Substituent, Solvent, and Dispersion Effects on the Zwitterionic Character and Dimerization Thermochemistry of the Group 6 Fulvene Metal Tricarbonyl Complexes

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.1c07276 ◽

2022 ◽

Author(s):

Yanshu Wang ◽

Huijie Wang ◽

Huidong Li ◽

Yucheng Hu ◽

Qunchao Fan ◽

...

Keyword(s):

Dispersion Effects ◽

Group 6

Download Full-text

Structure, Carbonyl Vibrational Frequencies, and Local Energy Decomposition of Binding Energy in Formaldehyde Clusters, (HCHO)n=1–10

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.1c08789 ◽

2022 ◽

Author(s):

Soumya Ganguly Neogi ◽

Md Mehboob Alam

Keyword(s):

Binding Energy ◽

Vibrational Frequencies ◽

Local Energy ◽

Energy Decomposition

Download Full-text

Decomposition Mechanism of Isoprenoid Hydrocarbon p-Menthane in the Presence of Pt@FGS Nanoparticles: A ReaxFF-MD Study

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.1c08934 ◽

2022 ◽

Author(s):

Yutong Wang ◽

Siyuan Gong ◽

Hongwang Liu ◽

Guozhu Liu

Keyword(s):

Decomposition Mechanism

Download Full-text

Issue Editorial Masthead

The Journal of Physical Chemistry A ◽

10.1021/jxv126i001_1546195 ◽

2022 ◽

Vol 126 (1) ◽

Download Full-text

Issue Publication Information

The Journal of Physical Chemistry A ◽

10.1021/jxv126i001_1546194 ◽

2022 ◽

Vol 126 (1) ◽

Download Full-text

The Journal of Physical Chemistry: Looking Back on Our 125th Anniversary and Looking Ahead to 2022

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.1c10542 ◽

2022 ◽

Vol 126 (1) ◽

pp. 1-2

Author(s):

Joan-Emma Shea ◽

T. Daniel Crawford ◽

Martin Zanni ◽

Gregory Hartland ◽

William Aumiller

Keyword(s):

Physical Chemistry ◽

125Th Anniversary ◽

Looking Back

Download Full-text

Generalized Oscillator Strengths for the Valence Shell Excitations in Carbon Tetrachloride Studied by Fast Electron Impact

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.1c10171 ◽

2022 ◽

Author(s):

Li-Han Wang ◽

Xiao-Jiao Du ◽

Yuan-Chen Xu ◽

Zhi-Wei Nie ◽

Dong-Hui Wang ◽

...

Keyword(s):

Carbon Tetrachloride ◽

Electron Impact ◽

Fast Electron ◽

Oscillator Strengths ◽

Valence Shell ◽

Generalized Oscillator

Download Full-text

Theoretical Insights on Improving Amidoxime Selectivity for Potential Uranium Extraction from Seawater

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.1c08072 ◽

2022 ◽

Author(s):

Xue-Fei Luan ◽

Cong-Zhi Wang ◽

Qun-Yan Wu ◽

Jian-Hui Lan ◽

Zhi-Fang Chai ◽

...

Keyword(s):

Uranium Extraction

Download Full-text