Volume 106; Issue 3

Journal of Physical Chemistry A

Volume 106; Issue 3

1

Color Changes Caused by Conformational Polymorphism: Optical-Crystallography, Single-Crystal Spectroscopy, and Computational Chemistry

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 115 KB

english, 2002

2

Absolute Kinetic Rate Constants and Activation Energies for the Formation of Grignard Reagents

Beals, Bridget J., Bello, Zainab I., Cuddihy, Kathleen P., Healy, Ethan M., Koon-Church, Stephanie E., Owens, Jane M., Teerlinck, Cynthia E., Bowyer, Walter J.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 52 KB

english, 2002

3

Dielectric Relaxation Time and Relaxation Time Distribution of Alcohol−Water Mixtures

Sudo, Seiichi, Shinyashiki, Naoki, Kitsuki, Yusuke, Yagihara, Shin

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 84 KB

english, 2002

4

Origin of Na + /K + Selectivity of the Guanine Tetraplexes in Water: The Theoretical Rationale

Gu, Jiande, Leszczynski, Jerzy

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 61 KB

english, 2002

5

Isomerization and Melting-Like Transition of Size-Selected Water Nonamers

Brudermann, Jesko, Buck, Udo, Buch, Victoria

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 163 KB

english, 2002

6

Electronic Structure of Chiral Halomethanes

Novak, Igor, Li, Dong Bo, Potts, Anthony W.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 42 KB

english, 2002

7

Ab Initio Study of the Reaction Mechanisms of NiO and NiS with H 2

Hwang, Der-Yan, Mebel, Alexander M.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 120 KB

english, 2002

8

Through-Space Charge and Dipolar Effects in Substituted Ethanes and 1,1,1-Trifluoroethanes

Nolan, Elizabeth M., Linck, R. G.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 110 KB

english, 2002

9

Vibrational Stark Effects of Nitriles II. Physical Origins of Stark Effects from Experiment and Perturbation Models

Andrews, Steven S., Boxer, Steven G.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 88 KB

english, 2002

10

The DDCI Method Applied to Reactivity: Chemiluminescent Decomposition of Dioxetane

Rodríguez, E., Reguero, M.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 60 KB

english, 2002

11

A Theoretical Study of Substituent Effects on Germanium−Phosphorus Triple Bonds

Lai, Chin-Hung, Su, Ming-Der, Chu, San-Yan

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 43 KB

english, 2002

12

Clustering of Hydrogen Molecules around a Molecular Cation: The Li 3+ (H 2 ) n Clusters ( n = 1 − 6)

Barbatti, Mario, Jalbert, Ginette, Nascimento, Marco Antonio Chaer

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 91 KB

english, 2002

13

Multiprotonation of Benzene: A Theoretical Study

Sumathy, Raman, Kryachko, Eugene S.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 162 KB

english, 2002

14

Single-Valued Double Many-Body Expansion Potential Energy Surface of Ground-State SO 2

Rodrigues, S. P. J., Sabín, J. A., Varandas, A. J. C.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 114 KB

english, 2002

15

A Thermodynamic-Probabilistic Analysis of Diverse Homogeneous Stoichiometric Chemical Reactions

Garfinkle, Moishe

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 105 KB

english, 2002

16

The Anion Radical of [18]Annulene

Kurth, Todd L., Brown, Eric C., Hattan, Chris M., Reiter, Richard C., Stevenson, Cheryl D.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 82 KB

english, 2002

17

Coordinate Systems and the Calculation of Molecular Properties

Potter, Michael J., Gilson, Michael K.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 43 KB

english, 2002

18

Cooperative Hydrogen- and πH-Bonded Interactions Involving Water and the Ethylenic Double Bond

DuPré, Donald B., Yappert, M. Cecilia

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 105 KB

english, 2002

19

Pattern Formation Fueled by Dissipation of Chemical Energy: Conclusive Evidence for the Formation of a Convective Torus 1

Martincigh, Bice S., Simoyi, Reuben H.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 182 KB

english, 2002

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