Volume 124; Issue 18

Journal of Physical Chemistry A

Volume 124; Issue 18

1

Exploring the Nature of Interaction and Stability between Water-Soluble Arsenic Pollutants and MetalâPhosphorene Hybrids: A Density Functional Theory Study

Ortega, Daniela E., CortÃ©s-Arriagada, Diego

Journal:

Journal of Physical Chemistry A

Année:

2020

Fichier:

PDF, 843 KB

2020

2

Modeling of Electron Transfer in a Linear Trinuclear FeâCoâFe Complex: Magnetic and Polarizability Properties

Ostrovsky, S. M., Klokishner, S. I.

Journal:

Journal of Physical Chemistry A

Année:

2020

Fichier:

PDF, 326 KB

2020

3

Experimental Evidence of Dioxole Unimolecular Decay Pathway for Isoprene-Derived Criegee Intermediates

Vansco, Michael F., Caravan, Rebecca L., Zuraski, Kristen, Winiberg, Frank A. F., Au, Kendrew, Trongsiriwat, Nisalak, Walsh, Patrick J., Osborn, David L., Percival, Carl J., Khan, M. Anwar H., Shallcr

Journal:

Journal of Physical Chemistry A

Année:

2020

Fichier:

PDF, 4.40 MB

2020

4

Fusing Thienyl with N-Annulated Perylene Dyes and Photovoltaic Parameters for Dye-Sensitized Solar Cells

Xu, Peng, Zhang, Cai-Rong, Wu, You-Zhi, Yuan, Li-Hua, Chen, Yu-Hong, Liu, Zi-Jiang, Chen, Hong-Shan

Journal:

Journal of Physical Chemistry A

Année:

2020

Fichier:

PDF, 1.04 MB

2020

5

Simpler is Better: How Linear Prediction Tasks Improve Transfer Learning in Chemical Autoencoders

Iovanac, Nicolae C., Savoie, Brett M.

Journal:

Journal of Physical Chemistry A

Année:

2020

Fichier:

PDF, 698 KB

2020

6

Effect of Oriented External Electric Fields on the Photo and Thermal Isomerization of Azobenzene

Kempfer-Robertson, Emily M., Thompson, Lee M.

Journal:

Journal of Physical Chemistry A

Année:

2020

Fichier:

PDF, 5.69 MB

2020

7

Reaction between N 2 O 5 and NH 3 under Tropospheric Conditions: A Quantum Chemical and Chemical Kinetic Investigation

Sarkar, Saptarshi, Bandyopadhyay, Biman

Journal:

Journal of Physical Chemistry A

Année:

2020

Fichier:

PDF, 1.57 MB

2020

8

Capillarity-Induced Propagation Reversal of Chemical Waves in a Self-oscillating Gel

Wang, Liyuan, Yu, Zhan, Gao, Qingyu, Wang, Hui, Ren, Lin, Ji, Chen, Epstein, Irving R.

Journal:

Journal of Physical Chemistry A

Année:

2020

Fichier:

PDF, 672 KB

2020

9

Description of the Reaction Intermediate Stabilization for the Zimmerman Di-Ï-methane Rearrangement on the Basis of a Parametric Diabatic Analysis

Ortega, Daniela E., Matute, Ricardo A.

Journal:

Journal of Physical Chemistry A

Année:

2020

Fichier:

PDF, 2.45 MB

2020

10

Low-Energy Electron Scattering from Dimethyl Ether

Sinha, Nidhi, Antony, Bobby

Journal:

Journal of Physical Chemistry A

Année:

2020

Fichier:

PDF, 2.11 MB

2020

11

Investigating the (Poly)Radicaloid Nature of Real-World Organic Compounds with DFT-Based Methods

Salvitti, Giovanna, Negri, Fabrizia, PÃ©rez-JimÃ©nez, Ãngel J., San-FabiÃ¡n, Emilio, Casanova, David, Sancho-GarcÃa, Juan Carlos

Journal:

Journal of Physical Chemistry A

Année:

2020

Fichier:

PDF, 548 KB

2020

12

Role of Nonvalence States in the Ultrafast Dynamics of Isolated Anions

Verlet, Jan R. R., AnstÃ¶ter, Cate S., Bull, James N., Rogers, Joshua P.

Journal:

Journal of Physical Chemistry A

Année:

2020

Fichier:

PDF, 7.52 MB

2020

13

Rate-Limiting Steps in the Intramolecular CâH Activation of Ruthenium N-Heterocyclic Carbene Complexes

MÅodzikowska-PieÅko, Katarzyna, Trzaskowski, Bartosz

Journal:

Journal of Physical Chemistry A

Année:

2020

Fichier:

PDF, 3.41 MB

2020

14

Comparative Study of the Decomposition Mechanism and Kinetics of Biimidazole-Based Energetic Explosives

Zhao, Chuande, Zhang, Zhenqi, Yu, Qian, Yang, Fang, Fan, Guijuan, Yu, Kun

Journal:

Journal of Physical Chemistry A

Année:

2020

Fichier:

PDF, 1.22 MB

2020

15

Observation of Magic Number Clusters from Thermal Dissociation Molecular Dynamics Simulations of Lithium Formate Ionic Clusters

Zhang, Jincheng, Bogdanov, Bogdan, Parkins, Andrew, McCallum, C. Michael

Journal:

Journal of Physical Chemistry A

Année:

2020

Fichier:

PDF, 1.99 MB

2020

16

Competition between HÃ¼ckelâs Rule and JahnâTeller Distortion in Small Carbon Rings: A Quantum Monte Carlo Study

Hong, Iuegyun, Ahn, Jeonghwan, Shin, Hyeondeok, Bae, Hyeonhu, Lee, Hoonkyung, Benali, Anouar, Kwon, Yongkyung

Journal:

Journal of Physical Chemistry A

Année:

2020

Fichier:

PDF, 545 KB

2020

17

Nature (Hole or Electron) of Charge-Transfer Ability of Substituted Cyclopyrenylene Hoop-Shaped Compounds

Moral, M., Navarro, A., PÃ©rez-JimÃ©nez, A. J., Sancho-GarcÃa, J. C.

Journal:

Journal of Physical Chemistry A

Année:

2020

Fichier:

PDF, 919 KB

2020

18

Update to Our Reader, Reviewer, and Author CommunitiesâApril 2020

Burrows, Cynthia J., Wang, Shu, Kim, Hyun Jae, Meyer, Gerald J., Schanze, Kirk, Lee, T. Randall, Lutkenhaus, Jodie L., Kaplan, David, Jones, Christopher, Bertozzi, Carolyn, Kiessling, Laura, Mulcahy,

Journal:

Journal of Physical Chemistry A

Année:

2020

Fichier:

PDF, 1.50 MB

2020

19

Structure, Dynamics, and Accurate Laboratory Rotational Frequencies of the AcrylonitrileâMethanol Complex

Calabrese, Camilla, Maris, Assimo, Vigorito, Annalisa, Mariotti, Sergio, Fathi, Pantea, Geppert, Wolf D., Melandri, Sonia

Journal:

Journal of Physical Chemistry A

Année:

2020

Fichier:

PDF, 2.32 MB

2020

20

Effect of Vibronic Coupling on Correlated Triplet Pair Formation in the Singlet Fission Process of Linked Tetracene Dimers

Shizu, Katsuyuki, Adachi, Chihaya, Kaji, Hironori

Journal:

Journal of Physical Chemistry A

Année:

2020

Fichier:

PDF, 2.72 MB

2020

21

Autobiography of Paul Geerlings

Geerlings, Paul

Journal:

Journal of Physical Chemistry A

Année:

2020

Fichier:

PDF, 462 KB

2020

22

Experimental and Computational Study of Molecular Water Interactions with Condensed Nopinone Surfaces Under Atmospherically Relevant Conditions

Johansson, Sofia M., LovriÄ, Josip, Kong, Xiangrui, Thomson, Erik S., Hallquist, Mattias, Pettersson, Jan B. C.

Journal:

Journal of Physical Chemistry A

Année:

2020

Fichier:

PDF, 1.99 MB

2020

23

Issue Publication Information

Journal:

Journal of Physical Chemistry A

Année:

2020

Fichier:

PDF, 165 KB

2020

24

Issue Editorial Masthead

Journal:

Journal of Physical Chemistry A

Année:

2020

Fichier:

PDF, 138 KB

2020