Volume 112; Issue 1

Journal of Physical Chemistry A

Volume 112; Issue 1

1

Linear Cn Clusters: Are They Acetylenic or Cumulenic?

Yang, Shujiang, Kertesz, Miklos

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 167 KB

english, 2008

2

Double-Hybrid Functionals for Thermochemical Kinetics

Tarnopolsky, Alex, Karton, Amir, Sertchook, Rotem, Vuzman, Dana, Martin, Jan M. L.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 188 KB

english, 2008

3

Thermodynamics and Kinetics of Glyoxal Dimer Formation: A Computational Study

Kua, Jeremy, Hanley, Sean W., De Haan, David O.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 220 KB

english, 2008

4

Two-Dimensional H 2 O−Cl 2 and H 2 O−Br 2 Potential Surfaces: An Ab Initio Study of Ground and Valence Excited Electronic States

Hernández-Lamoneda, Ramón, Uc Rosas, Victor Hugo, Bernal Uruchurtu, Margarita I., Halberstadt, Nadine, Janda, Kenneth C.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 220 KB

english, 2008

5

Structures of Aliphatic Amino Acid Proton-Bound Dimers by Infrared Multiple Photon Dissociation Spectroscopy in the 700−2000 cm -1 Region

Rajabi, Khadijeh, Fridgen, Travis D.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 345 KB

english, 2008

6

Correlation of Global Electrophilicity with the Activation Energy in Single-Step Concerted Reactions

Bagaria, Priyanka, Roy, Ram Kinkar

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 113 KB

english, 2008

7

Molecular Structure, Vibrational Spectra, Quantum Chemical Calculations and Photochemistry of Picolinamide and Isonicotinamide Isolated in Cryogenic Inert Matrixes and in the Neat Low-Temperature Solid Phases

Borba, Ana, Gómez-Zavaglia, Andrea, Fausto, R.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 292 KB

english, 2008

8

Transition from Moderate to Strong Hydrogen Bonds: Its Identification and Physical Bases in the Case of O−H···O Intramolecular Hydrogen Bonds

Mariam, Yitbarek H., Musin, Ryza N.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 214 KB

english, 2008

9

Characterizing the Properties of the N7,N9-Dimethylguaninium Chloride Ion Pairs: Prospecting for the Design of a Novel Ionic Liquid

Xing, Dianxiang, Bu, Yuxiang, Tan, Xuejie

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 624 KB

english, 2008

10

Thermal Decomposition of CF 3 and the Reaction of CF 2 + OH → CF 2 O + H

Srinivasan, N. K., Su, M.-C., Michael, J. V., Jasper, A. W., Klippenstein, S. J., Harding, L. B.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 210 KB

english, 2008

11

Mass Spectroscopic Observation of Shock-Induced Chemistry in Liquid CS 2

Engelke, Ray, Blais, Normand C., Sheffield, Stephen A.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 566 KB

english, 2008

12

Addition Reaction of Adamantylideneadamantane with Br 2 and 2Br 2 : A Computational Study

Islam, Shahidul M., Poirier, Raymond A.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 521 KB

english, 2008

13

Theoretical Study on the Relationship between Spin Multiplicity Effects and Nonlinear Optical Properties of the Pyrrole Radical (C 4 H 4 N·)

Qiu, Yong-Qing, Fan, Hong-Ling, Sun, Shi-Ling, Liu, Chun-Guang, Su, Zhong-Min

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 106 KB

english, 2008

14

Theoretical Study of the Enthalpies of Formation for C 40 H 56 Carotenes

Tu, Cheng-Yi, Guo, Wen-Hsin, Hu, Ching-Han

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 84 KB

english, 2008

15

Editorial for January 2008

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 11 KB

english, 2008

16

A Quantum Chemistry Study of the Cl Atom Reaction with Formaldehyde

Gruber-Stadler, Margret, Mühlhäuser, Max, Sellevåg, Stig R., Nielsen, Claus J.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 393 KB

english, 2008

17

Ultraviolet Cavity Ringdown Spectra and the S 1 (n,π*) Ring-Inversion Potential Energy Function for 2-Cyclohexen-1-one- d 0 and Its 2,6,6- d 3 Isotopomer

Rishard, Mohamed Z. M., Brown, Elizabeth A., Ausman, Logan K., Drucker, Stephen, Choo, Jaebum, Laane, Jaan

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 163 KB

english, 2008

18

Dimers of Boroglycine and Methylamine Boronic Acid: A Computational Comparison of the Relative Importance of Dative versus Hydrogen Bonding

Larkin, Joseph D., Milkevitch, Matt, Bhat, Krishna L., Markham, George D., Brooks, Bernard R., Bock, Charles W.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 144 KB

english, 2008

19

Rate Coefficients for the OH + HC(O)C(O)H (Glyoxal) Reaction between 210 and 390 K

Feierabend, Karl J., Zhu, Lei, Talukdar, R. K., Burkholder, James B.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 174 KB

english, 2008