Volume 118; Issue 1

Journal of Physical Chemistry A

Volume 118; Issue 1

1

Solvent Effect on Anthranilic Acid Spectroscopy

Abou-Zied, Osama K., Al-Busaidi, Badriya Y., Husband, John

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 440 KB

english, 2014

2

Thermochemistry and Kinetics for 2-Butanone-1-yl Radical (CH 2 ·C(═O)CH 2 CH 3 ) Reactions with O 2

Sebbar, N., Bozzelli, J . W., Bockhorn, H.

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 4.00 MB

english, 2014

3

Theoretical Study of Novel Azo-Tetraphenylporphyrins: Potential Photovoltaic Materials

Hernandez-Marin, Elizabeth, Caicedo, Carolina, Rivera, Ernesto, Martínez, Ana

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 2.55 MB

english, 2014

4

Formation of Hydrogen Polyoxides As Constituents of Peroxy Radical Condensate upon Low-Temperature Interaction of Hydrogen Atoms with Liquid Ozone

Levanov, Alexander V., Isaykina, Oksana Ya., Antipenko, Ewald E., Lunin, Valerii V.

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 351 KB

english, 2014

5

Description of Aromaticity with the Help of Vibrational Spectroscopy: Anthracene and Phenanthrene

Kalescky, Robert, Kraka, Elfi, Cremer, Dieter

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 675 KB

english, 2014

6

Conformational Equilibria in Butane-1,4-diol: A Benchmark of a Prototypical System with Strong Intramolecular H-bonds

Kozuch, Sebastian, Bachrach, Steven M., Martin, Jan M.L.

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 1.47 MB

english, 2014

7

Time-Resolved EPR Study on the Photoexcited Triplet State of the Electron–Donor–Acceptor Complex Formed in the System of fac -Tris[2-(4-octyl-phenyl) pyridine] Iridium(III) and Tetracene

Zhebin, Fu, Shuhei, Yoshioka, Hisao, Murai

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 1.08 MB

english, 2014

8

Global Optimization of 8–10 Atom Palladium–Iridium Nanoalloys at the DFT Level

Davis, Jack B. A., Horswell, Sarah L., Johnston, Roy L.

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 3.64 MB

english, 2014

9

Excited State Intramolecular Proton Transfer in π-Expanded Phenazine-Derived Phenols

Piechowska, Joanna, Virkki, Kirsi, Sadowski, Bartłomiej, Lemmetyinen, Helge, Tkachenko, Nikolai V., Gryko, Daniel T.

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 855 KB

english, 2014

10

Tunneling Above the Crossover Temperature

Álvarez-Barcia, Sonia, Flores, Jesús R., Kästner, Johannes

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 706 KB

english, 2014

11

Approaches to Measuring Entanglement in Chemical Magnetometers

Tiersch, M., Guerreschi, G. G., Clausen, J., Briegel, H. J.

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 907 KB

english, 2014

12

Substitutional Photoluminescence Modulation in Adducts of a Europium Chelate with a Range of Alkali Metal Cations: A Gas-Phase Study

Greisch, Jean-Francois, Harding, Michael E., Schäfer, Bernhard, Rotter, Martin, Ruben, Mario, Klopper, Wim, Kappes, Manfred M., Schooss, Detlef

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 1.76 MB

english, 2014

13

On the Stability of Zwitterions of Pyridine Sulfonylureas: The Effect of Isosterism, Acidity, and Microsolvation

Dhaked, Devendra K., Bharatam, Prasad V.

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 2.73 MB

english, 2014

14

Anisotropic Mo 2 –Phthalocyanine Sheet: A New Member of the Organometallic Family

Zhu, Guizhi, Kan, Min, Sun, Qiang, Jena, Puru

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 1.51 MB

english, 2014

15

Two Dimensional Imaging of the Virtual Source of a Supersonic Beam: Helium at 125 K

Eder, S. D., Bracco, G., Kaltenbacher, T., Holst, B.

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 1.83 MB

english, 2014

16

Reaction Analysis for Deprotonation of the Sulfonic Group of Perfluorosulfonic Acid Molecules at Low Hydration Levels

Sakai, Hironori, Tokumasu, Takashi

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 1.84 MB

english, 2014

17

Hygroscopic Particle Behavior Studied by Interdigitated Array Microelectrode Impedance Sensors

Schindelholz, Eric, Tsui, Lok-kun, Kelly, Robert G.

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 3.93 MB

english, 2014

18

Chain or Ring: Which One Is Favorable in Nitrogen-Rich Molecules N 6 XH m , N 8 XH m , and N 10 XH m (X = B, Al, Ga, m = 1 and X = C, Si, Ge, m = 2)?

Liang, Yanhong, Li, Nan

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 3.01 MB

english, 2014

19

Atmospheric Chemistry of CF 3 CF 2 CHO: Absorption Cross Sections in the UV and IR Regions, Photolysis at 308 nm, and Gas-Phase Reaction with OH Radicals ( T = 263–358 K)

Antiñolo, María, Jiménez, Elena, González, Sergio, Albaladejo, José

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 1.13 MB

english, 2014

20

Comprehensive Analysis of Gly-Leu-Gly-Gly-Lys Peptide Dication Structures and Cation-Radical Dissociations Following Electron Transfer: From Electron Attachment to Backbone Cleavage, Ion–Molecule Complexes, and Fragment Separation

Pepin, Robert, Laszlo, Kenneth J., Peng, Bo, Marek, Aleš, Bush, Matthew F., Tureček, František

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 1.64 MB

english, 2014

21

Determination of the Rate Constant for the OH(X 2 Π) + OH(X 2 Π) → H 2 O + O( 3 P) Reaction Over the Temperature Range 295 to 701 K

Altinay, Gokhan, Macdonald, R. Glen

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 3.22 MB

english, 2014

22

State-Resolved Time-Dependent Wave Packet and Quasiclassical Trajectory Studies of the Adiabatic Reaction S( 3 P) + HD on the (1 3 A″) State

Cheng, Dahai, Yuan, Jiuchuang, Chen, Maodu

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 2.40 MB

english, 2014

23

Chiroptical Inversion Induced by Rotation of a Carbon–Carbon Single Bond: An Experimental and Theoretical Study

Lu, Wei, Du, Ganhong, Liu, Keyuan, Jiang, Liming, Ling, Jun, Shen, Zhiquan

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 2.25 MB

english, 2014

24

Analysis of the Hydration Water around Bovine Serum Albumin Using Terahertz Coherent Synchrotron Radiation

Bye, Jordan W., Meliga, Stefano, Ferachou, Denis, Cinque, Gianfelice, Zeitler, J. Axel, Falconer, Robert J.

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 1.45 MB

english, 2014

25

Storage Capacity and Vibration Frequencies of Guest Molecules in CH 4 and CO 2 Hydrates by First-Principles Calculations

Cao, Xiaoxiao, Su, Yan, Liu, Yuan, Zhao, Jijun, Liu, Changling

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 1.41 MB

english, 2014

26

Comparison of Unimolecular Decomposition Pathways for Carboxylic Acids of Relevance to Biofuels

Clark, Jared M., Nimlos, Mark R., Robichaud, David J.

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 3.17 MB

english, 2014

27

Activation of Gas-Phase Uranyl: From an Oxo to a Nitrido Complex

Gong, Yu, Vallet, Valérie, del Carmen Michelini, Maria, Rios, Daniel, Gibson, John K.

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 1.27 MB

english, 2014

28

Nonequilibrium H/D Isotope Effects from Trajectory-Based Nonadiabatic Dynamics

Spörkel, Lasse, Cui, Ganglong, Koslowski, Axel, Thiel, Walter

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 929 KB

english, 2014

29

Mechanisms of Ultrafast Excited-State Deactivation in Adenosine

Tuna, Deniz, Sobolewski, Andrzej L., Domcke, Wolfgang

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 966 KB

english, 2014

30

Editorial for January 2014 for JPC A/B/C

Schatz, George C., McCoy, Anne B., Hammes-Schiffer, Sharon, Murphy, Catherine J.

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 2.85 MB

english, 2014

31

High-Temperature Measurements of the Reactions of OH with Ethylamine and Dimethylamine

Li, Sijie, Dames, Enoch, Davidson, David F., Hanson, Ronald K.

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 2.27 MB

english, 2014

32

Scalar Relaxation of the Second Kind — A Potential Source of Information on the Dynamics of Molecular Movements. 2. Magnetic Dipole Moments and Magnetic Shielding of Bromine Nuclei

Gryff-Keller, Adam, Molchanov, Sergey, Wodyński, Artur

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 267 KB

english, 2014

33

Quantum Chemistry Investigation of Fluorinated Polymer Systems of Industrial Interest

Mavroudakis, Evangelos, Cuccato, Danilo, Dossi, Marco, Comino, Giovanni, Moscatelli, Davide

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 3.94 MB

english, 2014

34

Surface Photochemistry of Adsorbed Nitrate: The Role of Adsorbed Water in the Formation of Reduced Nitrogen Species on α-Fe 2 O 3 Particle Surfaces

Nanayakkara, Charith E., Jayaweera, Pradeep M., Rubasinghege, Gayan, Baltrusaitis, Jonas, Grassian, Vicki H.

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 2.54 MB

english, 2014

35

Multistate Photochromism of 1-Phenylnaphthalene-Bridged Imidazole Dimer That Has Three Colorless Isomers and Two Colored Isomers

Yamaguchi, Tetsuo, Hatano, Sayaka, Abe, Jiro

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 2.81 MB

english, 2014

36

Nonlinear Optical Pulse Suppression via Ultrafast Photoinduced Electron Transfer in an Aggregated Perylene Diimide/Oligothiophene Molecular Triad

Sartin, Matthew M., Huang, Chun, Marshall, Ariel S., Makarov, Nikolay, Barlow, Stephen, Marder, Seth R., Perry, Joseph W.

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 3.37 MB

english, 2014

37

Correction to “Theoretical and Kinetic Study of the Reactions of Ketones with HȮ 2 Radicals. Part I: Abstraction Reaction Channels”

Mendes, Jorge, Zhou, Chong-Wen, Curran, Henry J.

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 114 KB

english, 2014

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