Volume 117; Issue 27

Journal of Physical Chemistry A

Volume 117; Issue 27

1

Chlorodifluoroacetyl Isothiocyanate, ClF 2 CC(O)NCS: Preparation and Structural and Spectroscopic Studies

Ramos, Luis A., Ulic, Sonia E., Romano, Rosana M., Vishnevskiy, Yury V., Mitzel, Norbert W., Beckers, Helmut, Willner, Helge, Tong, Shengrui, Ge, Maofa, Védova, Carlos O. Della

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 1.01 MB

english, 2013

2

Conformational Transferability of the Sulfenyl Carbonyl Group −SC(O)– in Cyclic Thioesters

Dugarte, Nahir Y., Erben, Mauricio F., Hey-Hawkins, Evamarie, Lönnecke, Peter, Stadlbauer, Sven, Ge, Mao-Fa, Li, Yao, Piro, Oscar E., Echeverría, Gustavo A., Della Védova, Carlos O.

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 1.20 MB

english, 2013

3

Probing the Smallest Molecular Model of MoS 2 Catalyst: S 2 Units in the MoS n –/0 ( n = 1–5) Clusters

Wang, Bin, Wu, Ni, Zhang, Xiao-Bin, Huang, Xin, Zhang, Yong-Fan, Chen, Wen-Kai, Ding, Kai-Ning

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 573 KB

english, 2013

4

A New Interpretation of the Photoelectron Spectra of CrC 2–

Tran, Van Tan, Iftner, Christophe, Hendrickx, Marc F. A.

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 422 KB

english, 2013

5

Electronic Properties of RDX and HMX: Compton Scattering Experiment and First-Principles Calculation

Ahuja, B. L., Jain, Pradeep, Sahariya, Jagrati, Heda, N. L., Soni, Pramod

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 2.46 MB

english, 2013

6

Effects of Microhydration on the Electronic Properties of ortho -Aminobenzoic Acid

Pachêco, Vanusa Bezerra, Chaudhuri, Puspitapallab

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 1.01 MB

english, 2013

7

Journey through the Potential Energy Surfaces for the Isomerization and Decomposition Reactions of the Telluroformaldehyde Analogues: H 2 A═Te and HFA═Te (A = C, Si, and Ge)

Jaufeerally, Naziah B., Abdallah, Hassan H., Ramasami, Ponnadurai, Schaefer, Henry F.

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 1.64 MB

english, 2013

8

Solvent Effect on Thermally Activated Delayed Fluorescence by 1,2,3,5-Tetrakis(carbazol-9-yl)-4,6-dicyanobenzene

Ishimatsu, Ryoichi, Matsunami, Shigeyuki, Shizu, Katsuyuki, Adachi, Chihaya, Nakano, Koji, Imato, Toshihiko

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 293 KB

english, 2013

9

Influence of Substituent Type and Position on the Adsorption Mechanism of Phenylboronic Acids: Infrared, Raman, and Surface-Enhanced Raman Spectroscopy Studies

Piergies, Natalia, Proniewicz, Edyta, Ozaki, Yukihiro, Kim, Younkyoo, Proniewicz, Leonard M.

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 516 KB

english, 2013

10

Simulation of Titanium Metal/Titanium Dioxide Etching with Chlorine and Hydrogen Chloride Gases Using the ReaxFF Reactive Force Field

Kim, Sung-Yup, van Duin, Adri C. T.

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 2.89 MB

english, 2013

11

C–Cl Activation by Group IV Metal Oxides in Solid Argon Matrixes: Matrix Isolation Infrared Spectroscopy and Theoretical Investigations of the Reactions of MO x (M = Ti, Zr; x = 1, 2) with CH 3 Cl

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 1.67 MB

english, 2013

12

Electronic Spectroscopy of Carbon Chains and Rings of Astrophysical Interest

Rice, C. A., Maier, J. P.

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 2.27 MB

english, 2013

13

On The Population of Triplet Excited States of 6-Aza-2-Thiothymine

Gobbo, João Paulo, Borin, Antonio Carlos

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 1.46 MB

english, 2013

14

Pressure-Induced Metallization of Li + -Doped Hydrogen Clusters

Santamaria, Ruben, Bokhimi, Xim, Soullard, Jacques, Jellinek, Julius

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 2.58 MB

english, 2013

15

Fully Coherent Triple Sum Frequency Spectroscopy of a Benzene Fermi Resonance

Boyle, Erin S., Pakoulev, Andrei V., Wright, John C.

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 3.57 MB

english, 2013

16

Effect of Ni Charge States on Structural, Electronic, Magnetic, and Optical Properties of InN

Usman, Zahid, Cao, Chuanbao, Khan, Matiullah, Mahmood, Tariq, Niazi, A. R.

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 1.08 MB

english, 2013

17

Impacts of Surface Adsorbed Catechol on Tropospheric Aerosol Surrogates: Heterogeneous Ozonolysis and Its Effects on Water Uptake

Woodill, Laurie A., O’Neill, Erinn M., Hinrichs, Ryan Z.

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 2.82 MB

english, 2013