Volume 112; Issue 35

Journal of Physical Chemistry A

Volume 112; Issue 35

1

The Self-Assembly of Metaboric Acid Molecules into Bowls, Balls and Sheets

Elango, M., Subramanian, V., Sathyamurthy, N.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 2.56 MB

english, 2008

2

Intermolecular HH Vibrations of Dihydrogen Bonded Complexes H 3 EH − ···HOR in the Low-Frequency Region: Theory and IR Spectra

Filippov, Oleg A., Tsupreva, Victoria N., Epstein, Lina M., Lledos, Agusti, Shubina, Elena S.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 158 KB

english, 2008

3

Molecular Structures and Stability Constants of Gossypol and Its Aza-Derivative Complexes with Silver(I) Cations Studied by Potentiometric, ESI MS, NMR, and AM1d Semiempirical Methods

Przybylski, Piotr, Kira, Jaromir, Schroeder, Grzegorz, Brzezinski, Bogumił, Bartl, Franz

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 867 KB

english, 2008

4

Theoretical Study on a Novel Series of Fullerene-Containing Organometallics Fe(η 5 -C 55 X 5 ) 2 (X = CH, N, B) and Their Large Third-Order Nonlinear Optical Properties

Liu, Yan-Chun, Kan, Yu-He, Wu, Shui-Xing, Yang, Guo-Chun, Zhao, Liang, Zhang, Min, Guan, Wei, Su, Zhong-Min

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 1.18 MB

english, 2008

5

Pericyclic versus Pseudopericyclic Reactions. What the Laplacian of the Charge Density, ∇ 2 ρ( r ), Has To Say about It? The Case of Cycloaddition Reactions

Calvo-Losada, Saturnino, Quirante Sánchez, J. J.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 3.61 MB

english, 2008

6

Dihydrogen Trioxide Clusters, (HOOOH) n ( n = 2−4), and the Hydrogen-Bonded Complexes of HOOOH with Acetone and Dimethyl Ether: Implications for the Decomposition of HOOOH

Kovačič, Saša, Koller, Jože, Cerkovnik, Janez, Tuttle, Tell, Plesničar, Božo

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 1.03 MB

english, 2008

7

Experimental and Theoretical Investigation of HC 5 N Adsorption on Amorphous Ice Surface: Simulation of the Interstellar Chemistry

Coupeaud, Anne, Piétri, Nathalie, Allouche, Alain, Aycard, Jean-Pierre, Couturier-Tamburelli, Isabelle

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 448 KB

english, 2008

8

Atmospheric Chemistry of 3-Pentanol: Kinetics, Mechanisms, and Products of Cl Atom and OH Radical Initiated Oxidation in the Presence and Absence of NO X

Hurley, M. D., Wallington, T. J., Bjarrum, M., Javadi, M. S., Nielsen, O. J.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 573 KB

english, 2008

9

The Hyperbolic Chemical Bond: Fourier Analysis of Ground and First Excited State Potential Energy Curves of HX (X = H−Ne)

Harrison, John A.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 2.76 MB

english, 2008

10

Density Functional Theory Study of Ruthenium (II)-Catalyzed [2+2+2] Cycloaddition of 1,6-Diynes with Tricarbonyl Compounds

Rodríguez-Otero, Jesús, Montero-Campillo, M. Merced, Cabaleiro-Lago, Enrique M.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 398 KB

english, 2008

11

Observation of Intermolecular Charge Transfer in a Quasi-One-Dimensional Molecular Alloy System

Ren, Xiaoming, Sui, Yunxia, Liu, Guangxiang, Xie, Jingli

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 1.42 MB

english, 2008

12

Experimental Study of the Dynamics of Front Propagation in the Co(OH) 2 /NH 4 OH Liesegang System Using Spectrophotometry

Batlouni, Hazar, Al-Ghoul, Mazen

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 504 KB

english, 2008

13

Unique Interactions Between Diborane and π Orbitals: Blue- or Red-Shifted Hydrogen Bonding?

Tian, Shan Xi, Li, Hai-Bei, Bai, Yubin, Yang, Jinlong

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 1.56 MB

english, 2008

14

Theoretical Insight into Pyrrole Inversion and Planarity in 5,10,15,20-Tetraphenylsapphyrin and 5,10,15,20-Tetraphenyl-26,28-Diheterosapphyrins with Two O, S, or Se Atoms

Cárdenas-Jirón, Gloria Inés, Venegas, Carlos, López, Ramón, Menéndez, M. Isabel

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 1.57 MB

english, 2008

15

Theoretical Study of HCN + + C 2 H 2 Reaction

Li, Yan, Liu, Hui-ling, Huang, Xu-ri, Wang, De-quan, Sun, Chia-chung, Tang, Au-chin

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 1.19 MB

english, 2008

16

A Combined Theoretical and Experimental Study of Simple Terminal Group 6 Nitride and Phosphide NMX 3 and PMX 3 Molecules

Wang, Xuefeng, Andrews, Lester, Lindh, Roland, Veryazov, Valera, Roos, Björn O.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 534 KB

english, 2008

17

Kinetics and Activation Parameter Analysis for the Prebiotic Oligocytidylate Formation on Na + -Montmorillonite at 0−100 °C

Kawamura, Kunio, Maeda, Jun

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 534 KB

english, 2008

18

Theoretical Study of the Mechanism and Rate Constant of the B + CO 2 Reaction

Poully, Benjamin, Bergeat, Astrid, Hannachi, Yacine

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 203 KB

english, 2008

19

A Computational Study on the Decomposition of Formic Acid Catalyzed by (H 2 O) x , x = 0−3: Comparison of the Gas-Phase and Aqueous-Phase Results

Chen, Hsin-Tsung, Chang, Jee-Gong, Chen, Hui-Lung

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 1.11 MB

english, 2008

20

Regioselectivity in Azahydro[60]fullerene Derivatives: Application of General-Purpose Reactivity Indicators

Contreras-Torres, Flavio F., Basiuk, Vladimir A., Basiuk, Elena V.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 568 KB

english, 2008

21

Theoretical Investigation of Perylene Dimers and Excimers and Their Signatures in X-Ray Diffraction

Velardez, Gustavo Fabián, Lemke, Henrik T., Breiby, Dag W., Nielsen, Martin M., Møller, Klaus Braagaard, Henriksen, Niels E.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 430 KB

english, 2008

22

Magnetic Euripi in Corannulene

Monaco, Guglielmo, Scott, Lawrence T., Zanasi, Riccardo

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 4.33 MB

english, 2008

23

A Microwave and Quantum Chemical Study of Cyclopropaneselenol

Mokso, Rajmund, Møllendal, Harald, Guillemin, Jean-Claude

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 156 KB

english, 2008

24

Dipole Effects on Cation−π Interactions: Absolute Bond Dissociation Energies of Complexes of Alkali Metal Cations to N -methylaniline and N , N -dimethylaniline

Hallowita, Nuwan, Carl, Damon R., Armentrout, P. B., Rodgers, M. T.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 1.64 MB

english, 2008

25

Ion-Pairing of Octyl Viologen Diiodide in Low-Polar Solvents: An Experimental and Computational Study

Saielli, Giacomo

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 379 KB

english, 2008