Volume 121; Issue 10

Journal of Physical Chemistry A

Volume 121; Issue 10

1

MP4 Study of the Anharmonic Coupling of the Shared Proton Stretching Vibration of the Protonated Water Dimer in Equilibrium and Transition States

Pitsevich, G., Malevich, A., Kozlovskaya, E., Mahnach, E., Doroshenko, I., Pogorelov, V., Pettersson, Lars G. M., Sablinskas, V., Balevicius, V.

Journal:

Journal of Physical Chemistry A

Year:

2017

Language:

english

File:

PDF, 820 KB

english, 2017

2

IRMPD Spectroscopy Sheds New (Infrared) Light on the Sulfate Pattern of Carbohydrates

Schindler, B., Barnes, L., Gray, C. J., Chambert, S., Flitsch, S. L., Oomens, J., Daniel, R., Allouche, A. R., Compagnon, I.

Journal:

Journal of Physical Chemistry A

Year:

2017

Language:

english

File:

PDF, 3.76 MB

english, 2017

3

Energetic Properties and Electronic Structure of [C,N,O,P] and [C,N,S,P] Isomers

Finney, Brian, Thanthiriwatte, K. Sahan, Francisco, Joseph S., Dixon, David A.

Journal:

Journal of Physical Chemistry A

Year:

2017

Language:

english

File:

PDF, 522 KB

english, 2017

4

Mystery of 1-Vinylpropargyl Formation from Acetylene Addition to the Propargyl Radical: An Open-and-Shut Case

da Silva, Gabriel

Journal:

Journal of Physical Chemistry A

Year:

2017

Language:

english

File:

PDF, 1.51 MB

english, 2017

5

Adiabatic Variational Theory for Cold Atom–Molecule Collisions: Application to a Metastable Helium Atom Colliding with ortho - and para -Hydrogen Molecules

Pawlak, Mariusz, Shagam, Yuval, Klein, Ayelet, Narevicius, Edvardas, Moiseyev, Nimrod

Journal:

Journal of Physical Chemistry A

Year:

2017

Language:

english

File:

PDF, 580 KB

english, 2017

6

Ultrafast Excited State Dynamics in Molecular Motors: Coupling of Motor Length to Medium Viscosity

Conyard, Jamie, Stacko, Peter, Chen, Jiawen, McDonagh, Sophie, Hall, Christopher R., Laptenok, Sergey P., Browne, Wesley R., Feringa, Ben L., Meech, Stephen R.

Journal:

Journal of Physical Chemistry A

Year:

2017

Language:

english

File:

PDF, 746 KB

english, 2017

7

Thermally-Activated, Delayed Fluorescence in O,B,O- and N,B,O-Strapped Boron Dipyrromethene Derivatives

Stachelek, Patrycja, Alsimaree, Abdulrahman A., Alnoman, Rua B., Harriman, Anthony, Knight, Julian G.

Journal:

Journal of Physical Chemistry A

Year:

2017

Language:

english

File:

PDF, 2.11 MB

english, 2017

8

Probing Chemical Bonding and Electronic Structures in ThO – by Anion Photoelectron Imaging and Theoretical Calculations

Li, Yanli, Zou, Jinghan, Xiong, Xiao-Gen, Su, Jing, Xie, Hua, Fei, Zejie, Tang, Zichao, Liu, Hongtao

Journal:

Journal of Physical Chemistry A

Year:

2017

Language:

english

File:

PDF, 1.41 MB

english, 2017

9

Proton-Coupled Electron Transfer and the “Linear Approximation” for Coupling to the Donor–Acceptor Distance Fluctuations

Salna, Bridget, Benabbas, Abdelkrim, Champion, Paul M.

Journal:

Journal of Physical Chemistry A

Year:

2017

Language:

english

File:

PDF, 1.93 MB

english, 2017

10

Computational Comparison of Acetate and Nitrate Chemical Ionization of Highly Oxidized Cyclohexene Ozonolysis Intermediates and Products

Hyttinen, Noora, Rissanen, Matti P., Kurtén, Theo

Journal:

Journal of Physical Chemistry A

Year:

2017

Language:

english

File:

PDF, 868 KB

english, 2017

11

Photooxidation of Trimethyl Phosphite in Nitrogen, Oxygen, and para -Hydrogen Matrixes at Low Temperatures

Ramanathan, N., Sundararajan, K., Gopi, R., Sankaran, K.

Journal:

Journal of Physical Chemistry A

Year:

2017

Language:

english

File:

PDF, 2.69 MB

english, 2017

12

Ground State Properties of the Polar Alkali-Metal–Ytterbium and Alkaline-Earth-Metal–Ytterbium Molecules: A Comparative Study

Shao, Qinqin, Deng, Lijuan, Xing, Xiaodong, Gou, Dezhi, Kuang, Xiaoyu, Li, Hui

Journal:

Journal of Physical Chemistry A

Year:

2017

Language:

english

File:

PDF, 1.91 MB

english, 2017

13

High-Temperature and High-Pressure Pyrolysis of Hexadecane: Molecular Dynamic Simulation Based on Reactive Force Field (ReaxFF)

Chen, Zhuojun, Sun, Weizhen, Zhao, Ling

Journal:

Journal of Physical Chemistry A

Year:

2017

Language:

english

File:

PDF, 1.32 MB

english, 2017

14

Chemical Morphology of Frozen Mixed Nitrate–Salt Solutions

Morenz, Karen J., Donaldson, D. James

Journal:

Journal of Physical Chemistry A

Year:

2017

Language:

english

File:

PDF, 1.50 MB

english, 2017

15

Desorption of Oxygen from Cationic Niobium Oxide Clusters Revealed by Gas Phase Thermal Desorption Spectrometry and Density Functional Theory Calculations

Masuzaki, Daigo, Nagata, Toshiaki, Mafuné, Fumitaka

Journal:

Journal of Physical Chemistry A

Year:

2017

Language:

english

File:

PDF, 1.43 MB

english, 2017

16

Issue Editorial Masthead

Journal:

Journal of Physical Chemistry A

Year:

2017

Language:

english

File:

PDF, 143 KB

english, 2017

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