[ASAP] CO Oxidation to CO < sub > 2 < /sub > on Uranium Dioxide Molecules through Intermediate O < sub > 2 < /sub > U( η < sup > 1 < /sup > ‑CO)
The Journal of Physical Chemistry ADOI: 10.1021/acs.jpca.3c02671 (Source: Journal of Physical Chemistry A)
Source: Journal of Physical Chemistry A - July 6, 2023 Category: Chemistry Authors: Fang Li, Jianwei Qin, Xiaoguo Fu, Yangyutong Zhou, Bin Su, Maobing Shuai, and Zhen Pu Source Type: research

[ASAP] Origin of Stereoselectivity in a Mechanochemical Reaction of Diphenylfulvene and Maleimide
The Journal of Physical Chemistry ADOI: 10.1021/acs.jpca.3c01332 (Source: Journal of Physical Chemistry A)
Source: Journal of Physical Chemistry A - July 6, 2023 Category: Chemistry Authors: Wakana Sakai, Lori Gonnet, Naoki Haruta, Tohru Sato, and Michel Baron Source Type: research

[ASAP] Accurate Prediction of Adiabatic Ionization Potentials of Organic Molecules using Quantum Chemistry Assisted Machine Learning
The Journal of Physical Chemistry ADOI: 10.1021/acs.jpca.3c00823 (Source: Journal of Physical Chemistry A)
Source: Journal of Physical Chemistry A - July 5, 2023 Category: Chemistry Authors: Naveen K. Dandu123, Logan Ward24, Rajeev S. Assary12, Paul C. Redfern1, and Larry A. Curtiss12 Source Type: research

[ASAP] Quantifying the Impact of Halogenation on Intermolecular Interactions and Binding Modes of Aromatic Molecules
The Journal of Physical Chemistry ADOI: 10.1021/acs.jpca.3c02291 (Source: Journal of Physical Chemistry A)
Source: Journal of Physical Chemistry A - July 5, 2023 Category: Chemistry Authors: Ritaj Tyagi, Andrea Zen, and Vamsee K. Voora Source Type: research

[ASAP] Role of Ultrafast Internal Conversion and Intersystem Crossing in the Nonadiabatic Relaxation Dynamics of < italic toggle="yes" > ortho < /italic > -Nitrobenzaldehyde
The Journal of Physical Chemistry ADOI: 10.1021/acs.jpca.3c02899 (Source: Journal of Physical Chemistry A)
Source: Journal of Physical Chemistry A - July 5, 2023 Category: Chemistry Authors: Do ́ra Vörös and Sebastian Mai Source Type: research

[ASAP] Influence of the Fluorophore Mobility on Distance Measurements by Gas-Phase FRET
The Journal of Physical Chemistry ADOI: 10.1021/acs.jpca.3c01509 (Source: Journal of Physical Chemistry A)
Source: Journal of Physical Chemistry A - July 5, 2023 Category: Chemistry Authors: Jonas B. Metternich, Paul Katzberger, Anna S. Kamenik, Prince Tiwari, Ri Wu, Sereina Riniker, and Renato Zenobi Source Type: research

[ASAP] Exploring the Chemical Dynamics of Phenylethynyl Radical (C < sub > 6 < /sub > H < sub > 5 < /sub > CC; X < sup > 2 < /sup > A < sub > 1 < /sub > ) Reactions with Allene (H < sub > 2 < /sub > CCCH < sub > 2 < /sub > ; X < sup > 1 < /sup > A < sub > 1 < /sub > ) and Methylacetylene (CH < sub > 3 < /sub > CCH; X < sup > 1 < /sup > A < sub > 1 < /sub > )
The Journal of Physical Chemistry ADOI: 10.1021/acs.jpca.3c03077 (Source: Journal of Physical Chemistry A)
Source: Journal of Physical Chemistry A - July 4, 2023 Category: Chemistry Authors: Shane J. Goettl, Zhenghai Yang, Siegfried Kollotzek, Dababrata Paul, Ralf I. Kaiser, Ankit Somani, Adrian Portela-Gonzalez, Wolfram Sander, Anatoliy A. Nikolayev, Valeriy N. Azyazov, and Alexander M. Mebel Source Type: research

[ASAP] Theoretical Investigation of the < italic toggle="yes" > E < /italic > / < italic toggle="yes" > Z < /italic > Photoisomerization Pathway in 1 ‑(2-Pyrrolyl)-2-(2-thienyl)ethylene
The Journal of Physical Chemistry ADOI: 10.1021/acs.jpca.3c02184 (Source: Journal of Physical Chemistry A)
Source: Journal of Physical Chemistry A - July 3, 2023 Category: Chemistry Authors: Ibanrishisha Mawa and Aditya N. Panda Source Type: research

[ASAP] Theoretical and Numerical Comparison of Quantum- and Classical Embedding Models for Optical Spectra
The Journal of Physical Chemistry ADOI: 10.1021/acs.jpca.3c02540 (Source: Journal of Physical Chemistry A)
Source: Journal of Physical Chemistry A - July 3, 2023 Category: Chemistry Authors: Marina Jansen, Peter Reinholdt, Erik D. Hedeg ård, and Carolin König Source Type: research

[ASAP] Temperature Dependence of the Electronic Absorption Spectrum of NO < sub > 2 < /sub >
The Journal of Physical Chemistry ADOI: 10.1021/acs.jpca.3c02832 (Source: Journal of Physical Chemistry A)
Source: Journal of Physical Chemistry A - June 29, 2023 Category: Chemistry Authors: Steve Ndengue ́, Ernesto Quintas-Sánchez, Richard Dawes, Christopher C. Blackstone, and David L. Osborn Source Type: research

[ASAP] Photodissociation Dynamics of the [O < sub > 2 < /sub > –H < sub > 2 < /sub > O] < sup > + < /sup > Ionic Complex
The Journal of Physical Chemistry ADOI: 10.1021/acs.jpca.3c01628 (Source: Journal of Physical Chemistry A)
Source: Journal of Physical Chemistry A - June 29, 2023 Category: Chemistry Authors: Yunxiao Zhao, Gaoming Hu, Shaowen Feng, Zhen Li, Youqing Li, Qiang Zhang, Yang Chen, and Dongfeng Zhao Source Type: research

[ASAP] < italic toggle="yes" > EwaldSolidSolution < /italic > : A High-Throughput Application to Quickly Sample Stable Site Arrangements for Ionic Solid Solutions
The Journal of Physical Chemistry ADOI: 10.1021/acs.jpca.3c00076 (Source: Journal of Physical Chemistry A)
Source: Journal of Physical Chemistry A - June 29, 2023 Category: Chemistry Authors: Seong-Hoon Jang, Randy Jalem, and Yoshitaka Tateyama Source Type: research

[ASAP] Addressing the Embeddability Problem in Transition Rate Estimation
The Journal of Physical Chemistry ADOI: 10.1021/acs.jpca.3c01367 (Source: Journal of Physical Chemistry A)
Source: Journal of Physical Chemistry A - June 28, 2023 Category: Chemistry Authors: Curtis Goolsby, James Losey, Ashkan Fakharzadeh, Yuchen Xu, Marie-Christine Du ̈ker, Mila Getmansky Sherman, David S. Matteson, and Mahmoud Moradi Source Type: research

[ASAP] Computing Kinetic Solvent Effects and Liquid Phase Rate Constants Using Quantum Chemistry and COSMO-RS Methods
The Journal of Physical Chemistry ADOI: 10.1021/acs.jpca.3c01825 (Source: Journal of Physical Chemistry A)
Source: Journal of Physical Chemistry A - June 28, 2023 Category: Chemistry Authors: Yunsie Chung and William H. Green Source Type: research

[ASAP] Effects of Field Strength and Silver Nanowire Size on Plasmon-Enhanced N < sub > 2 < /sub > Dissociation
The Journal of Physical Chemistry ADOI: 10.1021/acs.jpca.3c00120 (Source: Journal of Physical Chemistry A)
Source: Journal of Physical Chemistry A - June 28, 2023 Category: Chemistry Authors: Yuchen Wang and Christine M. Aikens Source Type: research