Volume 114; Issue 29

Journal of Physical Chemistry A

Volume 114; Issue 29

1

Kinetics of Gas-Phase Reaction of OH with Morpholine: An Experimental and Theoretical Study

SenGupta, Sumana, Indulkar, Yogesh, Kumar, Awadhesh, Dhanya, Suresh, Naik, Prakash Dattatray, Bajaj, Parma Nand

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 238 KB

english, 2010

2

The Hydrogen-Bonded 2-Pyridone Dimer Model System. 1. Combined NMR and FT-IR Spectroscopy Study

Szyc, Łukasz, Guo, Jing, Yang, Ming, Dreyer, Jens, Tolstoy, Peter M., Nibbering, Erik T. J., Czarnik-Matusewicz, Bogusława, Elsaesser, Thomas, Limbach, Hans-Heinrich

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 3.80 MB

english, 2010

3

In Situ Infrared Spectroscopic Analysis of the Water Modes of [Zr 4 (OH) 8 (H 2 O) 16 ] 8+ during the Thermal Dehydration of ZrOCl 2 ·8H 2 O

Scholz, Jan, Scholz (nee Böhme), Kerstin, McQuillan, A. James

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 1.23 MB

english, 2010

4

Excited State Charge Transfer Coupled Double Proton Transfer Reaction of 7-Azaindole Derivatives in Methanol: A Theoretical Study

Zhao, Xiaohong, Chen, Maodu

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 1.82 MB

english, 2010

5

Structural Studies of the Water Hexamer

Hincapié, Gina, Acelas, Nancy, Castaño, Marcela, David, Jorge, Restrepo, Albeiro

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 1.40 MB

english, 2010

6

Cooperativity in Al 3+ Hydrolysis Reactions from Density Functional Theory Calculations

Bogatko, Stuart, Moens, Jan, Geerlings, Paul

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 3.61 MB

english, 2010

7

Thermal and Photoinduced Control of Relative Populations of 4-Methoxybenzaldehyde ( p -Anisaldehyde) Conformers

Kuş, Nihal, Sharma, Archna, Reva, Igor, Lapinski, Leszek, Fausto, Rui

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 686 KB

english, 2010

8

The 480 nm system of KRb: 1 3 Δ 1 , 4 1 Σ + , and 5 1 Σ + States

Lee, Yonghoon, Yoon, Youngjee, Muhammad, Adnan, Kim, Jin-Tae, Lee, Sungyul, Kim, Bongsoo

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 1.71 MB

english, 2010

9

Chain Branching and Termination in the Low-Temperature Combustion of n -Alkanes: 2-Pentyl Radical + O 2 , Isomerization and Association of the Second O 2

Asatryan, Rubik, Bozzelli, Joseph W.

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 3.27 MB

english, 2010

10

Density Functional Theory Determination of Structural and Electronic Properties of Struvite

Romanowski, Zbigniew, Kempisty, Paweł, Prywer, Jolanta, Krukowski, Stanisław, Torzewska, Agnieszka

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 4.64 MB

english, 2010

11

Nonequilibrium Processes in Supersonic Jets of N 2 , H 2 , and N 2 + H 2 Mixtures: (II) Shock Waves

Ramos, A., Tejeda, G., Fernández, J. M., Montero, S.

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 449 KB

english, 2010

12

Nonadiabatic Simulations of Exciton Dissociation in Poly- p -phenylenevinylene Oligomers

Bedard-Hearn, Michael J., Sterpone, Fabio, Rossky, Peter J.

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 2.79 MB

english, 2010

13

Ab Initio Classical Trajectory Study of the Fragmentation of C 3 H 4 Dications on the Singlet and Triplet Surfaces

Psciuk, Brian T., Tao, Peng, Schlegel, H. Bernhard

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 1.45 MB

english, 2010

14

Additive Model for the Second Harmonic Generation Hyperpolarizability Applied to a Collagen-Mimicking Peptide (Pro-Pro-Gly) 10

Loison, C., Simon, D.

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 1.17 MB

english, 2010

15

Ultrafast Potential Energy Surface Softening of One-Dimensional Organic Conductors Revealed by Picosecond Time-Resolved Laue Crystallography

Messerschmidt, Marc, Tschentscher, Thomas, Cammarata, Marco, Meents, Alke, Sager, Christian, Davaasambuu, Jav, Busse, Gerhard, Techert, Simone

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 691 KB

english, 2010

16

Theoretical Infrared and Terahertz Spectra of an RDX/Aluminum Complex

Guadarrama-Pérez, Carlos, Martínez de la Hoz, Julibeth M., Balbuena, Perla B.

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 182 KB

english, 2010

17

Quantification of the Singlet−Singlet Annihilation Times of Individual Bichromophoric Molecules by Photon Coincidence Measurements

Fückel, Burkhard, Hinze, Gerald, Nolde, Fabian, Müllen, Klaus, Basché, Thomas

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 328 KB

english, 2010

18

A Quantum Chemical Study of Bis-(iminoquinonephenolate) Zn(II) Complexes

Starikov, Andrey G., Minkin, Vladimir I., Minyaev, Ruslan M., Koval, Vitaliy V.

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 3.11 MB

english, 2010

19

Electronic Structure and Normal Vibrations in (+)-Catechin and (−)-Epicatechin Encapsulated β-Cyclodextrin

Khedkar, Jayshree K., Gobre, Vivekanand V., Pinjari, Rahul V., Gejji, Shridhar P.

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 4.75 MB

english, 2010

20

Ab Initio/RRKM-ME Study on the Mechanism and Kinetics of the Reaction of Phenyl Radical with 1,2-Butadiene

Kislov, V. V., Mebel, A. M.

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 1.85 MB

english, 2010