Volume 119; Issue 17

Journal of Physical Chemistry A

Volume 119; Issue 17

1

Energy Pooling Upconversion in Organic Molecular Systems

LaCount, Michael D., Weingarten, Daniel, Hu, Nan, Shaheen, Sean E., van de Lagemaat, Jao, Rumbles, Garry, Walba, David M., Lusk, Mark T.

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 24.77 MB

english, 2015

2

Theoretical Characterization of Dimethyl Carbonate at Low Temperatures

Boussessi, R., Guizani, S., Senent, M. L., Jaïdane, N.

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 1.39 MB

english, 2015

3

Origin of Enhanced Reactivity of a Microsolvated Nucleophile in Ion Pair S N 2 Reactions: The Cases of Sodium p -Nitrophenoxide with Halomethanes in Acetone

Li, Qiang-Gen, Xu, Ke, Ren, Yi

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 909 KB

english, 2015

4

Photophysics of Ru(II) Dyads Derived from Pyrenyl-Substitued Imidazo[4,5- f ][1,10]phenanthroline Ligands

Reichardt, Christian, Pinto, Mitch, Wächtler, Maria, Stephenson, Mat, Kupfer, Stephan, Sainuddin, Tariq, Guthmuller, Julien, McFarland, Sherri A., Dietzek, Benjamin

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 22.81 MB

english, 2015

5

Dual Emission of a Novel (P,N) Re I Complex: A Computational and Experimental Study on [ P,N -{(C 6 H 5 ) 2 (C 5 H 4 N)P}Re(CO) 3 Br]

Pizarro, Nancy, Duque, Mario, Chamorro, Eduardo, Nonell, Santi, Manzur, Jorge, de la Fuente, Julio R., Günther, Germán, Cepeda-Plaza, Marjorie, Vega, Andrés

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 2.85 MB

english, 2015

6

Interactions between Heterogeneous Uptake and Adsorption of Sulfur Dioxide and Acetaldehyde on Hematite

Zhao, Xi, Kong, Lingdong, Sun, Zhenyu, Ding, Xiaoxiao, Cheng, Tiantao, Yang, Xin, Chen, Jianmin

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 2.00 MB

english, 2015

7

Equilibration Kinetics and Chemical Diffusion of Indium-Doped TiO 2

Nowotny, Janusz, Alim, Mohammad A.

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 4.61 MB

english, 2015

8

Assessment of Hybrid Density Functionals for the Adsorption of Carbon Monoxide on Platinum Model Clusters

Soini, Thomas M., Genest, Alexander, Rösch, Notker

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 1.06 MB

english, 2015

9

Theoretical Study of the Reactions of Ethanol with Aluminum and Aluminum Oxide

Sharipov, Alexander S., Starik, Alexander M.

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 858 KB

english, 2015

10

Electrical Properties and Defect Chemistry of In-Doped TiO 2 in Terms of the Jonker Formalism

Nowotny, Janusz, Bak, Tadeusz, Ionescu, Mihail, Alim, Mohammad A.

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 4.85 MB

english, 2015

11

Simulation of the Resonance Raman Spectra for 5-Halogenated (F, Cl, and Br) Uracils

Sun, Shuai, Brown, Alex

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 1.00 MB

english, 2015

12

Unraveling the Conformational Landscape of Triallyl Phosphate: Matrix Isolation Infrared Spectroscopy and Density Functional Theory Computations

Ramanathan, N., Brahmmananda Rao, C. V. S., Sankaran, K., Sundararajan, K.

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 1.65 MB

english, 2015

13

Electron-Withdrawing β-Substituent, Ring-Strain, and Ortho Effects on Reactivity, Selectivity, and Stability of o -Alkoxybenzyl Carbocations

Tseng, Meng-Yun, Hung, Hsin-Yi, Sung, Kuangsen

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 739 KB

english, 2015

14

Characterization of the 1,1-HF Elimination Reaction from the Competition between the 1,1-HF and 1,2-DF Unimolecular Elimination Reactions of CD 3 CD 2 CHF 2

Wormack, Leah N., McGreal, Meghan E., McClintock, Corey E., Heard, George L., Setser, D. W., Holmes, Bert E.

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 1.53 MB

english, 2015

15

Theoretical Investigation on the Reaction between OH Radical and 4,4-Dimethyl-1-pentene in the Presence of O 2

Zhang, Weichao, Du, Benni

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 2.28 MB

english, 2015

16

Structural Control of Nonadiabatic Bond Formation: The Photochemical Formation and Stability of Substituted 4a,4b-Dihydrotriphenylenes

Snyder, Joshua A., Bragg, Arthur E.

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 2.91 MB

english, 2015

17

Mechanism of Co–C Bond Photolysis in Methylcobalamin: Influence of Axial Base

Lodowski, Piotr, Jaworska, Maria, Garabato, Brady D., Kozlowski, Pawel M.

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 2.77 MB

english, 2015

18

Pulse Propagation Effects in Optical 2D Fourier-Transform Spectroscopy: Theory

Spencer, Austin P., Li, Hebin, Cundiff, Steven T., Jonas, David M.

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 2.99 MB

english, 2015

19

Spin Propensities of Octahedral Complexes From Density Functional Theory

Mortensen, Sara R., Kepp, Kasper P.

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 1.11 MB

english, 2015

20

Threshold Photoelectron Spectra of Combustion Relevant C 4 H 5 and C 4 H 7 Isomers

Lang, Melanie, Holzmeier, Fabian, Hemberger, Patrick, Fischer, Ingo

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 1.14 MB

english, 2015