Volume 119; Issue 10

Journal of Physical Chemistry A

Volume 119; Issue 10

1

Observation of Hydrogen Migration in Cyclohexane under an Intense Femtosecond Laser Field

Wu, Hua, Zhang, Shian, Zhang, Jian, Yang, Yan, Deng, Li, Jia, Tianqing, Wang, Zugeng, Sun, Zhenrong

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 769 KB

english, 2015

2

Insight into the Mechanisms of Luminescence of Aminobenzonitrile and Dimethylaminobenzonitrile in Polar Solvents. An ab Initio Study

Gómez, Isabel, Castro, Pedro J., Reguero, Mar

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 748 KB

english, 2015

3

An Interacting Quantum Atoms Analysis of the Metal–Metal Bond in [M 2 (CO) 8 ] n Systems

Tiana, Davide, Francisco, E., Macchi, P., Sironi, Angelo, Martín Pendás, A.

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 689 KB

english, 2015

4

NMR Spectroscopy and Theoretical Calculations in the Conformational Analysis of 1-Methylpyrrolidin-2-one 3-Halo-derivatives

de Melo, Ulisses Zonta, Silva, Raí G. M., Yamazaki, Diego A. S., Pontes, Rodrigo M., Gauze, Gisele F., Rosa, Fernanda A., Rittner, Roberto, Basso, Ernani A.

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 906 KB

english, 2015

5

Semi-Experimental Equilibrium Structure Determinations by Employing B3LYP/SNSD Anharmonic Force Fields: Validation and Application to Semirigid Organic Molecules

Piccardo, Matteo, Penocchio, Emanuele, Puzzarini, Cristina, Biczysko, Malgorzata, Barone, Vincenzo

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 1.36 MB

english, 2015

6

Effective Photosensitized Energy Transfer of Nonanuclear Terbium Clusters Using Methyl Salicylate Derivatives

Omagari, Shun, Nakanishi, Takayuki, Seki, Tomohiro, Kitagawa, Yuichi, Takahata, Yumie, Fushimi, Koji, Ito, Hajime, Hasegawa, Yasuchika

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 1.67 MB

english, 2015

7

Comparison between Theoretically and Experimentally Determined Electronic Properties: Applications to Two-Photon Singlet Oxygen Sensitizers

Nielsen, Christian Benedikt Orea, Sørensen, Henning Osholm, Kongsted, Jacob

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 1.04 MB

english, 2015

8

Thermodynamics of Water Dimer Dissociation in the Primary Hydration Shell of the Iodide Ion with Temperature-Dependent Vibrational Predissociation Spectroscopy

Wolke, Conrad T., Menges, Fabian S., Tötsch, Niklas, Gorlova, Olga, Fournier, Joseph A., Weddle, Gary H., Johnson, Mark A., Heine, Nadja, Esser, Tim K., Knorke, Harald, Asmis, Knut R., McCoy, Anne B.,

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 846 KB

english, 2015

9

Insights into the Structures of the Gas-Phase Hydrated Cations M + (H 2 O) n Ar (M = Li, Na, K, Rb, and Cs; n = 3–5) Using Infrared Photodissociation Spectroscopy and Thermodynamic Analysis

Ke, Haochen, van der Linde, Christian, Lisy, James M.

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 3.29 MB

english, 2015

10

Atomic Alignment Effect on Reactivity and on Product Alignment in the Energy-Transfer Reaction of Oriented Ar ( 3 P 2 , 4s [3/2] 2 , M J = 2) + Kr (4p 6 , 1 S 0 ) → Ar (3p 6 , 1 S 0 ) + Kr (5p [3/2] 2 )

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 1.99 MB

english, 2015

11

Surface-Enhanced Nitrate Photolysis on Ice

Marcotte, Guillaume, Marchand, Patrick, Pronovost, Stéphanie, Ayotte, Patrick, Laffon, Carine, Parent, Philippe

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 667 KB

english, 2015

12

Driven Molecular Dynamics Studies of the Shared Proton Motion in the H 5 O 2+ ·Ar Cluster: The Effect of Argon Tagging and Deuteration on Vibrational Spectra

Kaledin, Martina, Adedeji, Deborah T.

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 1.92 MB

english, 2015

13

Dynamics of Ground State Absorption Spectra in Donor–Acceptor Pairs with Ultrafast Charge Recombination

Fedunov, Roman G., Plotnikova, Anastasiia V., Ionkin, Vladimir N., Ivanov, Anatoly I.

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 618 KB

english, 2015

14

Dispersion Correction Derived from First Principles for Density Functional Theory and Hartree–Fock Theory

Guidez, Emilie B., Gordon, Mark S.

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 866 KB

english, 2015

15

Understanding the Properties of Inorganic Benzenes Based on π-Electron Densities

Wu, Wenjie, Li, Xiaoyan, Meng, Lingpeng, Zheng, Shijun, Zeng, Yanli

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 770 KB

english, 2015

16

Investigation of the Photochemical Reactivity of Soot Particles Derived from Biofuels Toward NO 2 . A Kinetic and Product Study

Romanías, Manolis N., Dagaut, Philippe, Bedjanian, Yuri, Andrade-Eiroa, Auréa, Shahla, Roya, Emmanouil, Karafas S., Papadimitriou, Vassileios C., Spyros, Apostolos

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 1.83 MB

english, 2015

17

Photoexcitation, Photoionization, and Photofragmentantion of CF 3 CF 2 CF 2 C(O)Cl Using Synchrotron Radiation between 13 and 720 eV

Berrueta Martínez, Yanina, Bava, Yanina B., Erben, Mauricio F., Cavasso Filho, Reinaldo L., Romano, Rosana M., Della Védova, Carlos O.

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 981 KB

english, 2015

18

Stable Stoichiometry of Gas-Phase Cerium Oxide Cluster Ions and Their Reactions with CO

Nagata, Toshiaki, Miyajima, Ken, Mafuné, Fumitaka

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 899 KB

english, 2015

19

Intermolecular Interaction in the Formaldehyde–Dimethyl Ether and Formaldehyde–Dimethyl Sulfide Complexes Investigated by Fourier Transform Microwave Spectroscopy and ab Initio Calculations

Tatamitani, Yoshio, Kawashima, Yoshiyuki, Osamura, Yoshihiro, Hirota, Eizi

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 1.03 MB

english, 2015

20

Benchmark Thermochemistry of N -Methylaniline

Emel’yanenko, Vladimir N., Pimerzin, Andrey A., Turovtsev, Vladimir V., Verevkin, Sergey P.

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 1.33 MB

english, 2015

21

Bonding in Singlet and Triplet Butalene: Insights from Spin-Coupled Theory

Cooper, David L., Karadakov, Peter B., Duke, Brian J.

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 1.22 MB

english, 2015

22

Free Energy Map for the Co-Oligomerization of Formaldehyde and Ammonia

Kua, Jeremy, Rodriguez, Alyssa A., Marucci, Lily A., Galloway, Melissa M., De Haan, David O.

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 1.99 MB

english, 2015

23

Fast Photoinduced Reactions in the Condensed Phase Are Nonexponential

Simkovitch, Ron, Gepshtein, Rinat, Huppert, Dan

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 2.45 MB

english, 2015

24

Mesospheric Removal of Very Long-Lived Greenhouse Gases SF 6 and CFC-115 by Metal Reactions, Lyman-α Photolysis, and Electron Attachment

Totterdill, Anna, Kovács, Tamás, Gómez Martín, Juan Carlos, Feng, Wuhu, Plane, John M. C.

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 3.10 MB

english, 2015

25

Dissolution Dynamic Nuclear Polarization of Non-Self-Glassing Agents: Spectroscopy and Relaxation of Hyperpolarized [1- 13 C]Acetate

Flori, Alessandra, Liserani, Matteo, Bowen, Sean, Ardenkjaer-Larsen, Jan Henrik, Menichetti, Luca

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 2.55 MB

english, 2015

26

Hydroxymethyl Radical Self-Recombination in High-Temperature Water

Kanjana, Kotchaphan, Walker, Jonathan A., Bartels, David M.

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 1.89 MB

english, 2015

27

Photophysical and Photochemical Processes of Excited Singlet and Triplet [3 n ]Cyclophanes ( n = 2–6) Studied by Emission Measurements and Steady-State and Laser Flash Photolyses

Yamaji, Minoru, Okamoto, Hideki, Hakoshima, Yuhko, Shinmyozu, Teruo

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 1.50 MB

english, 2015

28

Ab Initio Molecular Dynamics Simulation Study of Dissociative Electron Attachment to Dialanine Conformers

Feng, Wen-Ling, Tian, Shan Xi

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 1.26 MB

english, 2015

29

Linear Oligoarylamines: Electrochemical, EPR, and Computational Studies of Their Oxidative States

Cheng, Hsu-Chun, Chiu, Kuo Yuan, Lu, Shih Hua, Chen, Ching-Chin, Lee, Yen Wei, Yang, Te-Fang, Kuo, Ming Yu, Chen, Peter Ping-Yu, Su, Yuhlong Oliver

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 1.52 MB

english, 2015

30

Electronic Structure and Noncovalent Interactions within Ion–Radical Complexes of N -(2-Furylmethyl)aniline Molecular Ions

Vallejo Narváez, Wilmer E., Rocha-Rinza, Tomás

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 5.44 MB

english, 2015

31

Dissociation of 1,1,1-Trifluoroethane Is an Intrinsic RRKM Process: Classical Trajectories and Successful Master Equation Modeling

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 2.15 MB

english, 2015

32

Electric Field Effects on the Intermolecular Interactions in Water Whiskers: Insight from Structures, Energetics, and Properties

Bai, Yang, He, Hui-Min, Li, Ying, Li, Zhi-Ru, Zhou, Zhong-Jun, Wang, Jia-Jun, Wu, Di, Chen, Wei, Gu, Feng-Long, Sumpter, Bobby G., Huang, Jingsong

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 1.23 MB

english, 2015

33

Quantum Chemical Investigation of meta -Xylylene Based One-Dimensional Polymer Chain

Pal, Arun K., Hansda, Shekhar, Datta, Sambhu N.

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 3.12 MB

english, 2015

34

Excited-State Proton Transfer of Weak Photoacids Adsorbed on Biomaterials: 8-Hydroxy-1,3,6-pyrenetrisulfonate on Chitin and Cellulose

Simkovitch, Ron, Huppert, Dan

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 1.58 MB

english, 2015

35

IMS–MS and IMS–IMS Investigation of the Structure and Stability of Dimethylamine-Sulfuric Acid Nanoclusters

Ouyang, Hui, He, Siqin, Larriba-Andaluz, Carlos, Hogan, Christopher J.

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 3.38 MB

english, 2015

36

Correction to “Ab Initio Reaction Kinetics of Hydrogen Abstraction from Methyl Formate by Hydrogen, Methyl, Oxygen, Hydroxyl, and Hydroperoxy Radicals”

Tan, Ting, Pavone, Michele, Krisiloff, David B., Carter, Emily A.

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 134 KB

english, 2015

37

Computational and Experimental Investigation of the Optical Properties of the Chromene Dyes

Minaev, Boris F., Valiev, Rashid R., Nikonova, Elena N., Gadirov, Ruslan M., Solodova, Tatyana A., Kopylova, Tatyana N., Tel’minov, Eugene N.

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 4.70 MB

english, 2015

38

Bichromatic Laser-Induced Quadrupole–Dipole Collisional Energy Transfer in Ca–Sr

Lu, Zhenzhong, Sun, Yanling, Ma, Lin, Liu, Jifang

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 1.62 MB

english, 2015

39

UV Photofragmentation and IR Spectroscopy of Cold, G-Type β-O-4 and β–β Dilignol–Alkali Metal Complexes: Structure and Linkage-Dependent Photofragmentation

Dean, Jacob C., Burke, Nicole L., Hopkins, John R., Redwine, James G., Ramachandran, P. V., McLuckey, Scott A., Zwier, Timothy S.

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 2.50 MB

english, 2015

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