Volume 119; Issue 13

Journal of Physical Chemistry A

Volume 119; Issue 13

1

Isotherm-Based Thermodynamic Model for Electrolyte and Nonelectrolyte Solutions Incorporating Long- and Short-Range Electrostatic Interactions

Ohm, Peter B., Asato, Caitlin, Wexler, Anthony S., Dutcher, Cari S.

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 9.77 MB

english, 2015

2

Dependence of the Four-Atom Reaction HBr + OH → Br + H 2 O on Temperatures between 20 and 2000 K

Ree, J., Kim, Y. H., Shin, H. K.

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 2.22 MB

english, 2015

3

Theoretical Study of Acene-Bridged Dyes for Dye-Sensitized Solar Cells

Li, Minjie, Kou, Li, Diao, Ling, Zhang, Qing, Li, Zhonggao, Wu, Qiang, Lu, Wencong, Pan, Dengyu

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 3.38 MB

english, 2015

4

Gas-Phase Kinetics of the N + C 2 N Reaction at Low Temperature

Stubbing, James W., Vanuzzo, Gianmarco, Moudens, Audrey, Loison, Jean-Christophe, Hickson, Kevin M.

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 2.07 MB

english, 2015

5

Distributed Atomic Polarizabilities of Amino Acids and their Hydrogen-Bonded Aggregates

Dos Santos, Leonardo H. R., Krawczuk, Anna, Macchi, Piero

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 538 KB

english, 2015

6

Temperature and Pressure Dependent Rate Coefficients for the Reaction of C 2 H 4 + HO 2 on the C 2 H 4 O 2 H Potential Energy Surface

Guo, JunJiang, Xu, JiaQi, Li, ZeRong, Tan, NingXin, Li, XiangYuan

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 1.07 MB

english, 2015

7

Comparative Kinetics of the 3-Buten-1-ol and 1-Butene Reactions with OH Radicals: A Density Functional Theory/RRKM Investigation

Peirone, Silvina, Nieto, Jorge D., Cometto, Pablo M., da Silva Barbosa, Thaís, Bauerfeldt, Glauco Favilla, Arbilla, Graciela, Lane, Silvia I.

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 2.24 MB

english, 2015

8

Investigating the Role of CH 2 Radicals in the HACA Mechanism

Liu, Peng, Lin, He, Yang, Yang, Shao, Can, Guan, Bin, Huang, Zhen

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 1.35 MB

english, 2015

9

H and D Attachment to Naphthalene: Spectra and Thermochemistry of Cold Gas-Phase 1-C 10 H 9 and 1-C 10 H 8 D Radicals and Cations

Krechkivska, Olha, Wilcox, Callan M., Chan, Bun, Jacob, Rebecca, Liu, Yu, Nauta, Klaas, Kable, Scott H., Radom, Leo, Schmidt, Timothy W.

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 730 KB

english, 2015

10

Controlling Factors in the Rates of Oxidation of Anilines and Phenols by Triplet Methylene Blue in Aqueous Solution

Erickson, Paul R., Walpen, Nicolas, Guerard, Jennifer J., Eustis, Soren N., Arey, J. Samuel, McNeill, Kristopher

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 1.63 MB

english, 2015

11

Transient Absorption Dynamics of Sterically Congested Cu(I) MLCT Excited States

Garakyaraghi, Sofia, Danilov, Evgeny O., McCusker, Catherine E., Castellano, Felix N.

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 4.01 MB

english, 2015

12

Halide Abstraction from Halogenated Acetate Ligands by Actinyls: A Competition between Bond Breaking and Bond Making

Dau, Phuong D., Gibson, John K.

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 753 KB

english, 2015

13

Correction to “Reoxidation of Photoreduced Polyoxotungstate [PW 12 O 40 ] 4– ) by Different Oxidants in the Presence of a Model Pollutant. Kinetics and Reaction Mechanism”

Yang, Bing, Pignatello, Joseph J., Qu, Dong, Xing, Baoshan

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 114 KB

english, 2015

14

Identification of Alcohol Conformers by Raman Spectra in the C–H Stretching Region

Chen, Lin, Zhu, Weiduo, Lin, Ke, Hu, Naiyin, Yu, Yuanqin, Zhou, Xiaoguo, Yuan, Lan-Feng, Hu, Shui-Ming, Luo, Yi

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 1.09 MB

english, 2015

15

Theoretical Study on Structures and Bond Properties of NpO 2m + Ions and NpO 2 (H 2 O) n m + ( m = 1–2, n = 1–6) Complexes in the Gas Phase and Aqueous Solution

Yin, Yao-Peng, Dong, Chen-Zhong, Ding, Xiao-Bin

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 1.42 MB

english, 2015

16

Terahertz Spectroscopy and Computational Investigation of the Flufenamic Acid/Nicotinamide Cocrystal

Delaney, Sean P., Korter, Timothy M.

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 1.04 MB

english, 2015

17

Electron Spin Relaxation of C 60 Monoanion in Liquid Solution: Applicability of Kivelson–Orbach Mechanism

Kundu, Krishnendu, Kattnig, Daniel R., Mladenova, Boryana, Grampp, Günter, Das, Ranjan

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 724 KB

english, 2015

18

Electronic Structural Basis for the Atomic Partial Charges of Planar Molecular Systems Derived from Out-of-Plane Dipole Derivatives

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 1.20 MB

english, 2015