Volume 103; Issue 31

Journal of Physical Chemistry A

Volume 103; Issue 31

1

DNA Mutations Induced by Proton and Charge Transfer in the Low-Lying Excited Singlet Electronic States of the DNA Base Pairs: A Theoretical Insight

Guallar, Víctor, Douhal, Abderrazzak, Moreno, Miquel, Lluch, José M.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 59 KB

english, 1999

2

CCD Charge Density Study on Crystals with Large Unit Cell Parameters: The Case of Hexagonal l -Cystine

Dahaoui, S., Pichon-Pesme, V., Howard, J. A. K., Lecomte, C.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 253 KB

english, 1999

3

Dielectric Relaxation of H-Bonded Liquids. Mixtures of Ethanol and n -Hexanol at Different Compositions and Temperatures

Petong, P., Pottel, R., Kaatze, U.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 111 KB

english, 1999

4

The Mechanism of the Collision-Induced Enhancement of the a 1 Δ g → X 3 Σ g- and b 1 Σ g+ → a 1 Δ g Radiative Transitions of O 2†

Hild, Markus, Schmidt, Reinhard

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 69 KB

english, 1999

5

Ground and Excited State Intramolecular Proton Transfer in Salicylic Acid: an Ab Initio Electronic Structure Investigation

Maheshwari, Shruti, Chowdhury, Arindam, Sathyamurthy, Narayanasami, Mishra, Hirdyesh, Tripathi, H. B., Panda, Manoranjan, Chandrasekhar, Jayaraman

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 114 KB

english, 1999

6

Transmission FT-IR and Knudsen Cell Study of the Heterogeneous Reactivity of Gaseous Nitrogen Dioxide on Mineral Oxide Particles

Underwood, G. M., Miller, T. M., Grassian, V. H.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 179 KB

english, 1999

7

Conformational Stability from Temperature-Dependent FT-IR Spectra of Liquid Rare Gas Solutions, Barriers To Internal Rotation, Vibrational Assignment, and Ab Initio Calculations for 3-Chloropropene

Durig, J. R., Durig, D. T., van der Veken, B. J., Herrebout, W. A.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 93 KB

english, 1999

8

An Experimental Study of the Low-Lying Electronic States of WO 2

Davico, Gustavo E., Schwartz, Rebecca L., Ramond, Tanya M., Lineberger, W. Carl

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 124 KB

english, 1999

9

Electron Transfer Reaction from Triplet 1,4-Dimethoxybenzene to Hydronium Ion in Aqueous Solution

Tajima, So, Tobita, Seiji, Shizuka, Haruo

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 138 KB

english, 1999

10

A Series of Multicolor Electrochromic Ruthenium(II) Trisbipyridine Complexes: Synthesis and Electrochemistry

Pichot, François, Beck, Jeffrey H., Elliott, C. Michael

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 87 KB

english, 1999

11

Singlet−Singlet and Triplet−Triplet Energy Transfer in Bichromophoric Peptides

McGimpsey, W. G., Chen, L., Carraway, R., Samaniego, W. N.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 126 KB

english, 1999

12

Singlet−Triplet Gap in α- n -Dehydrotoluene and Related Biradicals: An ab Initio Configuration Interaction Study

Cabrero, J., Ben-Amor, N., Caballol, R.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 60 KB

english, 1999

13

Density Functional Theory Analysis of Electronic Structure Variations across the Orthoquinone/Semiquinone/Catechol Redox Series

Wheeler, Daniel E., Rodriguez, Jorge H., McCusker, James K.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 5 KB

english, 1999

14

Investigations of the Chemical Bonding in the P 4 O 6 S m ( m = 0−4) Series by Combination of Experimental and Theoretical Vibrational Analysis

Valentim, A. R. S., Engels, B., Peyerimhoff, S. D.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 62 KB

english, 1999

15

Kinetic Studies of the Reactions of IO Radicals Determined by Cavity Ring-Down Spectroscopy

Atkinson, Dean B., Hudgens, Jeffrey W., Orr-Ewing, Andrew J.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 95 KB

english, 1999

16

Theoretical Studies of Structures and Ionization Threshold Energies of Water Cluster Complexes with a Group 1 Metal, M(H 2 O) n (M = Li and Na)

Tsurusawa, Takeshi, Iwata, Suehiro

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 246 KB

english, 1999

17

Enhancement of Internal Signal Stochastic Resonance by Noise Modulation in the CSTR System

Hou, Zhonghuai, Xin, Houwen

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 47 KB

english, 1999

18

Emission Spectroscopic Studies of Plasma-Induced NO Decomposition and Water Splitting

Luo, Jian, Suib, Steven L., Hayashi, Yuji, Matsumoto, Hiroshige

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 191 KB

english, 1999

19

Photoelectron and Photofragment Velocity Imaging Following the Excitation of CH 3 I to the A-Band Using fs, ps, and ns Laser Pulses

Samartzis, Peter C., Bakker, Bernard L. G., Parker, David H., Kitsopoulos, Theofanis N.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 134 KB

english, 1999

20

Modeling Nucleobase Radicals in the Gas Phase. Experimental and Computational Study of 2-Hydroxypyridinium and 2-(1H)Pyridone Radicals

Wolken, Jill K., Turecek, František

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 453 KB

english, 1999

21

Chemical Hardness as a Possible Diagnostic of the Chaotic Dynamics of Rydberg Atoms in an External Field

Chattaraj, P. K., Sengupta, S.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 120 KB

english, 1999

22

Ab Initio Study of the Reactions between a Series of Substituted Singlet Nitrenium Ions and Water

Marquez, Manuel, Marí, Frank, Gonzalez, Carlos A.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 118 KB

english, 1999

23

Are Semiclassical Methods Accurate for Electronically Nonadiabatic Transitions between Weakly Coupled Potential Energy Surfaces?

Volobuev, Yuri L., Hack, Michael D., Truhlar, Donald G.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 90 KB

english, 1999

24

Dimerization of Formamide in Gas Phase and Solution. An Ab Initio MC−MST Study

Colominas, Carles, Luque, F. Javier, Orozco, Modesto

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 141 KB

english, 1999

25

Semiclassical Tunneling Rates from Ab Initio Molecular Dynamics

Ben-Nun, M., Martínez, Todd J.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 76 KB

english, 1999

26

Anomalous Intensities in Zero-Kinetic-Energy Spectra

Chupka, William A., Grant, Edward R.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 87 KB

english, 1999

27

Quantum Chemical Study of the Bimolecular Complex of HONO

Wieczorek, Robert, Latajka, Zdzislaw, Lundell, Jan

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 62 KB

english, 1999

28

Two-Color Resonant Four-Wave Mixing Spectra of the C 2Σ + −X 2Π (1−1) Band of CH in a Flame

Li, Xinghua, Kumar, Awadhesh, Hsiao, Chih-Chang, Lee, Yuan-Pern

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 65 KB

english, 1999

29

Ionization and Emission Spectra of the Photofragments of Allene Excited at 193 nm

Chang, Jia-lin, Tseng, Gi-chen, Ni, Chi-Kung, Huang, Jiahn-Dar, Chen, Yit-Tsong

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 147 KB

english, 1999

30

Structural Study of Aryl Selenides in Solution Based on 77 Se NMR Chemical Shifts: Application of the GIAO Magnetic Shielding Tensor of the 77 Se Nucleus

Nakanishi, Warô, Hayashi, Satoko

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 106 KB

english, 1999

31

Announcement from the American Chemical Society Division of Physical Chemistry

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 12 KB

english, 1999

32

Evidence for Electron Density Features That Accompany the Noble Gases Solidification

Boese, Roland, Bläser, Dieter, Heinemann, Oliver, Abramov, Yuri, Tsirelson, Vladimir, Blaha, Peter, Schwarz, Karlheinz

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 90 KB

english, 1999

33

Experimental Evidence for a Selection Rule of Intersystem Crossing to the Excited Quartet States: Metallophthalocyanines Coordinated by 4-Amino-TEMPO

Ishii, Kazuyuki, Ishizaki, Takeo, Kobayashi, Nagao

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 54 KB

english, 1999