Volume 106; Issue 26

Journal of Physical Chemistry A

Volume 106; Issue 26

1

BAC-MP4 Predictions of Thermochemistry for Gas-Phase Compounds in the Si−H−O−Cl System

Allendorf, Mark D., Melius, Carl F.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 165 KB

english, 2002

2

Picosecond and Nanosecond Fluorescence Decays of 4-(Dimethylamino)phenylacetylene in Comparison with Those of 4-(Dimethylamino)benzonitrile. No Evidence for Intramolecular Charge Transfer and a Nonfluorescing Intramolecular Charge-Transfer State

Zachariasse, Klaas A., Yoshihara, Toshitada, Druzhinin, Sergey I.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 317 KB

english, 2002

3

Polar Dyes in Solution: A Joint Experimental and Theoretical Study of Absorption and Emission Band Shapes

Boldrini, Barbara, Cavalli, Enrico, Painelli, Anna, Terenziani, Francesca

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 120 KB

english, 2002

4

α-Cyclodextrin-I 3- Host−Guest Complex in Aqueous Solution: Theoretical and Experimental Studies

Minns, Jason W., Khan, Arshad

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 405 KB

english, 2002

5

Spectroscopic Study of the C 1 Σ + State of 6 LiH and 7 LiD

Hsu, Su-Kai, Wang, Jun-Jen, Yu, Pyng, Wu, Chia-Ying, Luh, Wei-Tzou

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 153 KB

english, 2002

6

Matrix Isolation and ab Initio Study of 1:1 Hydrogen-Bonded Complexes of H 2 O 2 with HF, HCl, and HBr

Goebel, James R., Antle, Kathryn A., Ault, Bruce S., Del Bene, Janet E.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 104 KB

english, 2002

7

Reaction of C 3 H 2+ with Atomic Chlorine: A Theoretical Study

Redondo, José R., Redondo, Pilar, Largo, Antonio

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 87 KB

english, 2002

8

Vibrational Spectra of Vinylarsine and Vinylstibine. An Experimental and Theoretical Study

Benidar, Abdessamad, Le Doucen, Roger, Guillemin, Jean-Claude, Mó, Otilia, Yáñez, Manuel

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 90 KB

english, 2002

9

Formation of Hydrogen-Bonded Structures in Jet-Cooled Complexes of a Chiral Chromophore Studied by IR/UV Double Resonance Spectroscopy: Diastereoisomeric Complexes of (±)-2-Naphthyl-1-ethanol with (±)-2-Amino-1-propanol

Le Barbu, K., Lahmani, F., Zehnacker-Rentien, A.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 102 KB

english, 2002

10

ArF Laser Photodissociation Dynamics of 1,4-Pentadien-3-ol: Laser-Induced Fluorescence Observation of OH Rovibrational States

Chowdhury, Pradyot K.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 85 KB

english, 2002

11

Infrared Spectra and Density Functional Theory Calculations of Group 4 Transition Metal Sulfides

Liang, Binyong, Andrews, Lester

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 96 KB

english, 2002

12

Transient Resonance Raman Investigation of 4-Iminocyclohexa-2,5-dienylidene and 4-Oxocyclohexa-2,5-dienylidene Carbenes in Aqueous Solution

Chan, Wing Sum, Leung, King Hung, Ong, Shing Yau, Phillips, David Lee

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 87 KB

english, 2002

13

Infrared Spectra of the Novel Sn 2 H 2 Species and the Reactive SnH 1,2,3 and PbH 1,2,3 Intermediates in Solid Neon, Deuterium, and Argon

Wang, Xuefeng, Andrews, Lester, Chertihin, George V., Souter, P. F.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 103 KB

english, 2002

14

Internal Methyl Rotation in the CH Stretching Overtone Spectra of o rtho -, m eta -, and para -Xylene

Rong, Zimei, Kjaergaard, Henrik G.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 154 KB

english, 2002

15

Vibrational and Quantum Chemical Studies of 1,2-Difluoroethylenes: Spectra of 1,2- 13 C 2 H 2 F 2 Species, Scaled Force Fields, and Dipole Derivatives

Craig, Norman C., Petersen, Kathleen L., McKean, Donald C.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 119 KB

english, 2002

16

General Trends for Bulk Diffusion in Ice and Surface Diffusion on Ice

Livingston, Frank E., Smith, Jamison A., George, Steven M.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 127 KB

english, 2002

17

Study on Shape Characterization of Crystalline Particles: Analysis of the Standard Deviation of the Angular Projection Function

Poce-Fatou, J. A., Martín, J., Alcántara, R.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 118 KB

english, 2002

18

15 N Chemical Shift Tensors of β-HMX

Clawson, Jacalyn S., Strohmeier, Mark, Stueber, Dirk, Orendt, Anita M., Barich, Dewey H., Asay, Blaine, Hiskey, Michael A., Pugmire, Ronald J., Grant, David M.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 122 KB

english, 2002

19

Trends in Inversion Barriers IV. The Group 15 Analogous of Pyrrole

Pelzer, Silke, Wichmann, Karin, Wesendrup, Ralf, Schwerdtfeger, Peter

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 175 KB

english, 2002

20

Intensities of Vibronic Transitions for the Main Bands Observed in the Electronic Spectrum of Atmospherically Relevant Nitric Oxide

Velasco, A. M., Bustos, E., Martín, I., Lavín, C.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 55 KB

english, 2002

21

Vibrational Spectroscopic and Conformational Analysis of Pinosylvin

Billes, Ferenc, Mohammed-Ziegler, Ildikó, Mikosch, Hans, Holmgren, Allan

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 74 KB

english, 2002

22

Influence of the Molecular Environment on the Three-Center versus Four-Center Elimination of HBr from Vinyl Bromide: A Theoretical Approach

Kunsági-Máté, Sándor, Végh, Eszter, Nagy, Géza, Kollár, László

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 93 KB

english, 2002

23

Quantum Mechanical and Kinetic Studies of the Reaction of Methyl Radicals with Chlorine Molecules

Drougas, Evangelos, Papayannis, Demetrios K., Kosmas, Agnie M.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 126 KB

english, 2002

24

Theoretical Study of Chloroalkenylperoxy Radicals

Lei, Wenfang, Zhang, Renyi, Molina, Luisa T., Molina, Mario J.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 88 KB

english, 2002

25

On the Calculation of Infrared Intensities in Solution within the Polarizable Continuum Model

Cammi, Roberto, Cappelli, Chiara, Corni, Stefano, Tomasi, Jacopo

Journal:

Journal of Physical Chemistry A

Year:

2002

File:

PDF, 9 KB

2002

26

Vibrational Raman Spectra of C 70 and C 706- Studied by Density Functional Theory

Sun, Guangyu, Kertesz, Miklos

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 55 KB

english, 2002

27

T 1e in Four Gd 3+ Chelates: LODEPR Measurements and Models for Electron Spin Relaxation

Borel, A., Helm, L., Merbach, A. E., Atsarkin, V. A., Demidov, V. V., Odintsov, B. M., Belford, R. L., Clarkson, R. B.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 35 KB

english, 2002

28

Investigation of the Atmospheric Oxidation Pathways of Bromoform: Initiation via OH/Cl Reactions

McGivern, W. Sean, Francisco, Joseph S., North, Simon W.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 56 KB

english, 2002