Volume 108; Issue 42

Journal of Physical Chemistry A

Volume 108; Issue 42

1

Distonic Isomers and Tautomers of the Adenine Cation Radical in the Gas Phase and Aqueous Solution

Chen, Xiaohong, Syrstad, Erik A., Nguyen, Minh Tho, Gerbaux, Pascal, Tureček, František

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 489 KB

english, 2004

2

Solvent Effects on Electronic Transitions of Highly Dipolar Dyes: A Comparison of Three Approaches

Moog, Richard S., Kim, Daniel D., Oberle, Jessica J., Ostrowski, Sara G.

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 102 KB

english, 2004

3

Harmonic Vibrational Frequencies: Scaling Factors for HF, B3LYP, and MP2 Methods in Combination with Correlation Consistent Basis Sets

Sinha, Pankaj, Boesch, Scott E., Gu, Changming, Wheeler, Ralph A., Wilson, Angela K.

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 32 KB

english, 2004

4

First Hyperpolarizability of Polyaminoborane and Polyiminoborane Oligomers

Jacquemin, Denis

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 87 KB

english, 2004

5

Intramolecular Energy Transfer in Molecular Dyads Comprising Free-base Porphyrin and Ruthenium(II) Bis(2,2‘:6‘,2‘ ‘-terpyridine) Termini

Benniston, Andrew C., Chapman, Glen M., Harriman, Anthony, Mehrabi, Maryam

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 331 KB

english, 2004

6

Dominant Role of the π Framework in Cyclobutadiene

Kovačević, Borislav, Barić, Danijela, Maksić, Zvonimir B., Müller, Thomas

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 92 KB

english, 2004

7

A Strong Acid that Does Not Protonate Water

Stoyanov, Evgenii S., Kim, Kee-Chan, Reed, Christopher A.

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 110 KB

english, 2004

8

Intramolecular Electron Transfer from Dipole-Bound to Valence Orbitals: Uracil and 5-Chlorouracil

Sommerfeld, Thomas

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 163 KB

english, 2004

9

Excitation-Wavelength-Dependent Fluorescence Behavior of Some Dipolar Molecules in Room-Temperature Ionic Liquids

Mandal, Prasun K., Sarkar, Moloy, Samanta, Anunay

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 105 KB

english, 2004

10

Ozonolysis Fragment Quenching by Nitrate Formation: The Pressure Dependence of Prompt OH Radical Formation

Presto, Albert A., Donahue, Neil M.

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 206 KB

english, 2004

11

Vapor-Phase Vibrational Spectrum of Glycolic Acid, CH 2 OHCOOH, in the Region 2000−8500 cm -1

Havey, Daniel K., Feierabend, Karl J., Vaida, Veronica

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 87 KB

english, 2004

12

Gas Phase Spectroscopic Studies of Hydroquinone Dimer

Biswas, N., Chakraborty, S., Wategaonkar, S.

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 172 KB

english, 2004

13

Time-Dependent Wave Packet Split Operator Calculations on a Three-Dimensional Fourier Grid in Radau Coordinates Applied to the OClO Photoelectron Spectrum

Sun, Zhigang, Lou, Nanquan, Nyman, Gunnar

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 156 KB

english, 2004

14

Origin of Conformational Restriction in Complexes of Formyl Compounds with Boron Lewis Acids and Their Related Systems

Feng, Yong, Liu, Lei, Zhao, Su-Wen, Wang, Jin-Ti, Guo, Qing-Xiang

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 331 KB

english, 2004

15

Wire-Length Dependence of the Conductance of Oligo( p -phenylene) Dithiolate Wires: A Consideration from Molecular Orbitals

Kondo, Masakazu, Tada, Tomofumi, Yoshizawa, Kazunari

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 203 KB

english, 2004

16

13 C NMR Line Shapes in the Study of Dynamics of Perdeuterated Methyl Groups

Bernatowicz, Piotr, Kowalewski, Jozef, Kruk, Danuta, Werbelow, Lawrence G.

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 116 KB

english, 2004

17

Reaction Kinetics of PO 2 Cl - , PO 2 Cl 2- , POCl 2- , and POCl 3- with O 2 and O 3 from 163 to 400 K

Fernandez, Abel I., Midey, Anthony J., Miller, Thomas M., Viggiano, A. A.

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 64 KB

english, 2004

18

On the Mechanism for Nitrate Formation via the Peroxy Radical + NO Reaction

Zhang, Jieyuan, Dransfield, Tim, Donahue, Neil M.

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 389 KB

english, 2004

19

Formation of Silicon Analogues of Thio-isocyanic Acid, HNSiS, and Its Isomers by Neutral−Neutral Reactions of the Fragments: A Computational Study †

Raghunath, P., Bhanuprakash, K., Srinivas, R.

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 201 KB

english, 2004

20

Ions at the Liquid/Vapor Interface of Methanol

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 358 KB

english, 2004

21

Theoretical Determination of the Electronic Mechanisms of 1,3-Dipolar Cycloaddition Reactions of Fulminic Acid and Diazomethane

Sakai, Shogo, Nguyen, Minh Tho

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 516 KB

english, 2004

22

Valence One-Electron and Shake-Up Ionization Bands of Polycyclic Aromatic Hydrocarbons. III. Coronene, 1.2,6.7-Dibenzopyrene, 1.12-Benzoperylene, Anthanthrene

Deleuze, Michael S.

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 230 KB

english, 2004

23

Reorganization Energies of the Individual Copper Centers in Dissimilatory Nitrite Reductases: Modulation and Control of Internal Electron Transfer

Farver, Ole, Eady, Robert R., Pecht, Israel

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 56 KB

english, 2004

24

Cooperative Hydrogen-Bonding in Models of Antiparallel β-Sheets

Viswanathan, Raji, Asensio, Amparo, Dannenberg, J. J.

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 346 KB

english, 2004

25

Comment on “Time-Dependent Density Functional Study of Electroluminescent Polymers”

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 23 KB

english, 2004

26

Laser-Light Scattering from a Multibubble System for Sonochemistry

Tuziuti, Toru, Yasui, Kyuichi, Iida, Yasuo, Sivakumar, Manickam, Koda, Shinobu

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 60 KB

english, 2004

27

Infrared Spectrum of the Protonated Water Dimer in the Gas Phase

Fridgen, Travis D., McMahon, Terry B., MacAleese, Luke, Lemaire, Joel, Maitre, Philippe

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 89 KB

english, 2004

28

Ab Initio Molecular Orbital Study on the Electronic Structures and Reactivity of Boron-Substituted Carbon

Wu, Xianxian, Radovic, Ljubisa R.

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 297 KB

english, 2004

29

π-Stacking Behavior of Selected Nitrogen-Containing PAHs

Tran, Fabien, Alameddine, Bassam, Jenny, Titus A., Wesolowski, Tomasz A.

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 202 KB

english, 2004

30

Avoided Level Crossing Muon Spectroscopy of Free Radicals Formed by Muonium Addition to the Constituents of DNA

Hubbard, Penny L., Oganesyan, Vasily S., Sulaimanov, Nail, Butt, Julea N., Jayasooriya, Upali A.

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 142 KB

english, 2004

31

Kinetics of Electron Transfer and Oxygen Evolution in the Reaction of [Ru(bpy) 3 ] 3+ with Colloidal Iridium Oxide

Morris, Natalie D., Suzuki, Masahiro, Mallouk, Thomas E.

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 82 KB

english, 2004

32

Light-Controlled Ion Switching: Direct Observation of the Complete Nanosecond Release and Microsecond Recapture Cycle of an Azacrown-Substituted [(bpy)Re(CO) 3 L] + Complex

Lewis, Jared D., Perutz, Robin N., Moore, John N.

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 322 KB

english, 2004

33

Theoretical Interpretation of the Fragments Generated from a Glycine Radical Cation

Lu, Hsiu-Feng, Li, Feng-Yin, Lin, S. H.

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 367 KB

english, 2004

34

Light-Induced Temperature Jump Causes Power-Dependent Ultrafast Kinetics of Electrons Generated in Multiphoton Ionization of Liquid Water †

Crowell, Robert A., Lian, Rui, Shkrob, Ilya A., Qian, Jun, Oulianov, Dmitri A., Pommeret, Stanislas

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 180 KB

english, 2004

35

Study of Host−Guest Interaction of [70]Fullerene with Substituted Calix[6]arenes by Absorption Spectrometric Method

Bhattacharya, Sumanta, Nayak, Sandip K., Semwal, Abha, Chattopadhyay, Subrata, Banerjee, Manas

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 73 KB

english, 2004

36

Bound States of the Cl( 2P )−HCl van der Waals Complex from Coupled ab Initio Potential Energy Surfaces

Zeimen, W. B., Kłos, J., Groenenboom, G. C., van der Avoird, A.

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 187 KB

english, 2004

37

Reply to “Comment on ‘Time-Dependent Density Functional Study of Electroluminescent Polymers'”

Yu, Jen-Shiang K., Yu, Chin-Hui

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 10 KB

english, 2004

38

Vibrational Substructure in the OH Stretching Transition of Water and HOD

Wang, Zhaohui, Pakoulev, Andrei, Pang, Yoonsoo, Dlott, Dana D.

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 276 KB

english, 2004

39

Photoinduced Electron Transfer in Ruthenium Bipyridyl Complexes: Evidence for the Existence of a Cage with Molecular Oxygen

Yavin, Eylon, Weiner, Lev, Arad-Yellin, Rina, Shanzer, Abraham

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 213 KB

english, 2004

40

Chemical Bonding to N, P, and As in Ylides and Their Boron Analogues

Sánchez-González, Angel, Martínez-García, Henar, Melchor, Santiago, Dobado, Jose A.

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 264 KB

english, 2004

41

CaF 2 As a Quasilinear Molecule: the Vibrational−Rotational Energy Levels Predicted by Ab Initio Quantum Chemistry Approach

Koput, Jacek, Roszczak, Agnieszka

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 77 KB

english, 2004

42

Comparison of Cooperativity in CH···O and OH···O Hydrogen Bonds

Kar, Tapas, Scheiner, Steve

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 91 KB

english, 2004

43

Electronic Diabatic Framework: Restrictions Due to Quantization of the Nonadiabatic Coupling Matrix

Baer, M., Vértesi, T., Halász, G. J., Vibók, Á.

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 112 KB

english, 2004

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