Volume 103; Issue 39

Journal of Physical Chemistry A

Volume 103; Issue 39

1

Influence of Alkylating Reagent Softness on the Regioselectivity in Enolate Ion Alkylation: A Theoretical Local Hard and Soft Acids and Bases Study

Damoun, S., Van de Woude, G., Choho, K., Geerlings, P.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 150 KB

english, 1999

2

Atomization Energies, Formation Enthalpies, Bond Dissociation Energies, and Adiabatic Electron Affinities of the PF n /PF n - Series, n = 1−6

Gu, Jiande, Leszczynski, Jerzy

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 107 KB

english, 1999

3

First Observation of the Photoexcited Quintet State in Fullerene Linked with Two Nitroxide Radicals

Mizuochi, Norikazu, Ohba, Yasunori, Yamauchi, Seigo

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 96 KB

english, 1999

4

Structure and [2+2] Cycloreversion of the Cyclobutane Radical Cation

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 98 KB

english, 1999

5

Electron Energy Loss and DFT/SCI Study of the Singlet and Triplet Excited States of Aminobenzonitriles and Benzoquinuclidines: Role of the Amino Group Twist Angle

Bulliard, Christophe, Allan, Michael, Wirtz, Gabriele, Haselbach, Edwin, Zachariasse, Klaas A., Detzer, Norbert, Grimme, Stefan

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 85 KB

english, 1999

6

Reactions of Laser-Ablated Co, Rh, and Ir with CO: Infrared Spectra and Density Functional Calculations of the Metal Carbonyl Molecules, Cations and Anions in Solid Neon

Zhou, Mingfei, Andrews, Lester

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 151 KB

english, 1999

7

Spectroscopy of Hydrothermal Reactions. 14. Kinetics of the pH-Sensitive Aminoguanidine−Semicarbazide−Cyanate Reaction Network

Belsky, A. J., Brill, T. B.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 109 KB

english, 1999

8

Energetics and Structures of the Carbonyl Chloride Radical, Oxalyl Chloride, and Their Cations

Chien, Siu-Hung, Lau, Kai-Chung, Li, Wai-Kee, Ng, C. Y.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 92 KB

english, 1999

9

Morphological Characteristics of Liesegang Rings and Their Simulations

Krug, Hans-Jürgen, Brandtstädter, Hermann

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 388 KB

english, 1999

10

Density Functional Studies of the Formation of Nitrous Acid from the Reaction of Nitrogen Dioxide and Water Vapor

Chou, Arthur, Zhiru,, Tao, Fu-Ming

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 78 KB

english, 1999

11

Reaction of OH Radical with C 2 H 3 Cl: Rate Constant and Reaction Pathway Analysis

Zhu, Li, Bozzelli, Joseph W., Ho, Wen-Pin

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 140 KB

english, 1999

12

Vibrational Overtone Spectroscopy of Metallocenes and “Half-Sandwich” Organometallic Complexes

Fedorov, A. V., Snavely, D. L.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 56 KB

english, 1999

13

Infrared Spectra of CNbO, CMO - , OMCCO, (C 2 )MO 2 , and M(CO) x ( x = 1−6) (M = Nb, Ta) in Solid Neon

Zhou, Mingfei, Andrews, Lester

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 150 KB

english, 1999

14

Bond Strengthening by Deformation of Bond Angles

Katzer, Gernot, Sax, Alexander F., Kalcher, Josef

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 165 KB

english, 1999

15

A Quantum-Chemical Study of the C 2 H 3 F 2+ and C 2 H 3 Cl 2+ Isomers and Their Interconversion. CBS-QB3 Proton Affinities of Difluoroethenes and Dichloroethenes

Frash, Maxim V., Hopkinson, Alan C., Bohme, Diethard K.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 826 KB

english, 1999

16

An ab Initio Investigation of Halocarbenes

Schwartz, Martin, Marshall, Paul

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 75 KB

english, 1999

17

Formation of OH( v =0,1) by the Reaction of Fast H with O 3

Dodd, James A., Lockwood, Ronald B., Hwang, Eunsook S., Miller, Steven M., Lipson, Steven J.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 128 KB

english, 1999

18

Anionic and Neutral Complexes of Uracil and Water

Dolgounitcheva, O., Zakrzewski, V. G., Ortiz, J. V.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 121 KB

english, 1999

19

Forward−Backward Semiclassical Dynamics without Prefactors

Shao, Jiushu, Makri, Nancy

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 53 KB

english, 1999

20

Thermal Isomerizations of 1,1-Dimethyl-2,2- d 2 -cyclopropane

Baldwin, John E., Shukla, Rajesh

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 146 KB

english, 1999

21

Temperature Dependence of the Outer-Sphere Reorganization Energy

Derr, Daniel L., Elliott, C. Michael

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 106 KB

english, 1999

22

Molecular Current−Voltage Characteristics

Seminario, Jorge M., Zacarias, Angelica G., Tour, James M.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 107 KB

english, 1999

23

Formation of Phenolate Anion−Counterion Complexes Can Explain the Vibrational Properties of the Phenolate Anion in Solution

Nonella, Marco, Suter, Hans Ulrich

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 99 KB

english, 1999

24

Interaction Energy of the Radon−Water (Rn·H 2 O) Complex

Lee, Edmond P. F., Wright, Timothy G.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 46 KB

english, 1999

25

Photochemistry and Photophysics of (1-Naphthoyl)diphenylphosphine Oxide

Zhao, Ningning, Strehmel, Bernd, Gorman, Anthony A., Hamblett, Ian, Neckers, Douglas C.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 124 KB

english, 1999

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