Volume 105; Issue 15

Journal of Physical Chemistry A

Volume 105; Issue 15

1

Theoretical Analysis of the Electronic Spectra of Benzaldehyde

Molina, Vicent, Merchán, Manuela

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 136 KB

english, 2001

2

Ultrafast Measurements of Excited State Intramolecular Proton Transfer (ESIPT) in Room Temperature Solutions of 3-Hydroxyflavone and Derivatives

Ameer-Beg, Simon, Ormson, Stuart M., Brown, Robert G., Matousek, Pavel, Towrie, Mike, Nibbering, Erik T. J., Foggi, Paolo, Neuwahl, Frederik V. R.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 153 KB

english, 2001

3

Cooperative Interactions of Unlike Macromolecules 2: NMR and Theoretical Study of Electrostatic Binding of Sodium Poly(styrenesulfonate)s to Copolymers with Variably Distributed Cationic Groups

Kříž, J., Dautzenberg, H.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 131 KB

english, 2001

4

Localized Electron Transfer in Nonpolar Solution: Reaction of Phenols and Thiophenols with Free Solvent Radical Cations

Brede, Ortwin, Ganapathi, Mahalaxmi R., Naumov, Sergej, Naumann, Wolfgang, Hermann, Ralf

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 93 KB

english, 2001

5

Spin−Orbit Coupling and Intersystem Crossing in Conjugated Polymers: A Configuration Interaction Description

Beljonne, D., Shuai, Z., Pourtois, G., Bredas, J. L.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 109 KB

english, 2001

6

Raman Spectroscopy of the Reaction of Sodium Chloride with Nitric Acid: Sodium Nitrate Growth and Effect of Water Exposure

Zangmeister, Christopher D., Pemberton, Jeanne E.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 207 KB

english, 2001

7

Ab Initio Based Exploration of the Potential Energy Surface for the Double Proton Transfer in the First Excited Singlet Electronic State of the 7-Azaindole Dimer

Moreno, Miguel, Douhal, Abderrazzak, Lluch, José M., Castaño, Obis, Frutos, Luis M.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 82 KB

english, 2001

8

Ab Initio Evaluation of the Substitution Effect of the Hydrogen Bond Energy of the Watson−Crick Type Base Pair between 1-Methyluracil and Substituted 9-Methyladenine Derivatives

Kawahara, Shun-ichi, Uchimaru, Tadafumi, Taira, Kazunari, Sekine, Mitsuo

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 174 KB

english, 2001

9

Impact of Ultrasonic Frequency on Aqueous Sonoluminescence and Sonochemistry

Beckett, Michael A., Hua, Inez

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 135 KB

english, 2001

10

Direct Experimental Determination of the Energy Barriers for Methyl Cation Transfer in the Reactions of Methanol with Protonated Methanol, Protonated Acetonitrile, and Protonated Acetaldehyde: A Low Pressure FTICR Study

Fridgen, Travis D., Keller, Jonathan D., McMahon, Terry B.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 269 KB

english, 2001

11

Homogeneity, Transport, and Signal Properties of Single Ag Particles Studied by Single-Molecule Surface-Enhanced Resonance Raman Scattering

Eggeling, C., Schaffer, J., Seidel, C. A. M., Korte, J., Brehm, G., Schneider, S., Schrof, W.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 116 KB

english, 2001

12

Formation of (SiN 2 SiC) Five-Membered Rings by Intramolecular Insertion into the Si−N Bond: A Quantum Chemical Study

Schmatz, Stefan

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 166 KB

english, 2001

13

Bond Energies and Bonding Interactions in Fe(CO) 5- n (N 2 ) n ( n = 0−5) and Cr(CO) 6- n (N 2 ) n ( n = 0−6) Complexes: Density Functional Theory Calculations and Comparisons to Experimental Data

Cedeño, David L., Weitz, Eric, Bérces, Attila

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 255 KB

english, 2001

14

A Matrix Isolation Spectroscopic and Quantum Chemical Study of Fumaric and Maleic Acid

Maçôas, Ermelinda M. S., Fausto, Rui, Lundell, Jan, Pettersson, Mika, Khriachtchev, Leonid, Räsänen, Markku

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 160 KB

english, 2001

15

Theoretical Study of Hydroxyisoprene Alkoxy Radicals and Their Decomposition Pathways

Lei, Wenfang, Zhang, Renyi

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 197 KB

english, 2001

16

A Laser Flash Photolysis Study of a Carbene−Ether Ylide

Wang, Jen-Lung, Yuzawa, Tetsuro, Nigam, Manisha, Likhotvorik, Igor, Platz, Matthew S.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 73 KB

english, 2001

17

Spectroscopic Properties of Mg−Chlorin, Mg−Bacteriochlorin, and Bacteriochlorophylls a , b , c , d , e , f , g , and h Studied by Semiempirical and Ab Initio MO/CI Methods

Linnanto, Juha, Korppi-Tommola, Jouko

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 338 KB

english, 2001

18

Aromaticity of Pyrene and Its Cyclopentafused CongenersResonance and NICS Criteria. An Ab Initio Valence Bond Analysis in Terms of Kekulé Resonance Structures

Havenith, Remco W. A., van Lenthe, Joop H., Dijkstra, Fokke, Jenneskens, Leonardus W.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 189 KB

english, 2001

19

Unimolecular Reaction Dynamics from Kinetic Energy Release Distributions. 8. Protonated Fluorobenzene and Structure of the Phenyl Ion

Lorquet, J. C., Lorquet, A. J.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 79 KB

english, 2001

20

Molecular Structure and Orientation: Concepts from Femtosecond Dynamics

Baskin, J. Spencer, Zewail, Ahmed H.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 266 KB

english, 2001

21

A Role for Dinuclear Aluminum Amidinate Complexes in Ethylene Polymerization?

Meier, Robert J., Koglin, Eckhard

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 459 KB

english, 2001

22

Kinetics and Thermochemistry of the OH Radical Reaction with CF 3 CCl 2 H and CF 3 CFClH

Yamada, Takahiro, Fang, Tunchen D., Taylor, Philip H., Berry, Rajiv J.

Journal:

Journal of Physical Chemistry A

Year:

2001

File:

PDF, 5 KB

2001

23

A Kinetic Study on the Spin Polarization Switching of Benzil in the Presence of Triethylamine

Okutsu, Tetsuo, Ooyama, Masaki, Tani, Katsuhiko, Hiratsuka, Hiroshi, Kawai, Akio, Obi, Kinichi

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 54 KB

english, 2001

24

Real Time Infrared Spectroscopic Probe of the Reactions of Fe(CO) 3 and Fe(CO) 4 with N 2 in the Gas Phase

Wang, Jiaqiang, Long, Gregory T., Weitz, Eric

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 114 KB

english, 2001

25

Accurate Intraprotein Electrostatics Derived from First Principles: An Effective Fragment Potential Method Study of the Proton Affinities of Lysine 55 and Tyrosine 20 in Turkey Ovomucoid Third Domain

Minikis, Ryan M., Kairys, Visvaldas, Jensen, Jan H.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 251 KB

english, 2001

26

A Matrix Isolation, Laser Flash Photolysis, and Computational Study of Adamantene

Tae, Eunju Lee, Zhu, Zhendong, Platz, Matthew S.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 69 KB

english, 2001

27

Statistical Error Propagation

Tellinghuisen, Joel

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 71 KB

english, 2001

28

The Triplet Potential Energy Surface of s - trans -2,4-Hexadiene. A Comparison of Theory and Experiment

Saltiel, Jack, Dmitrenko, Olga, Reischl, Wolfgang, Bach, Robert D.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 71 KB

english, 2001

29

Dynamics of the O( 3 P) + CS 2 (X 1 Σ g+ ) → SO(X 3 Σ - ) + CS(X 1 Σ + ) Reaction

Cheng, Yuying, Han, Jiande, Chen, Xirong, Ishikawa, Yasuyuki, Weiner, Brad R.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 118 KB

english, 2001

30

Gas-Phase Oligomerization of Propene Initiated by Benzene Radical Cation

Pithawalla, Yezdi B., Meot-Ner, Michael, Gao, Junling, El Shall, M. Samy, Baranov, Vladimir I., Bohme, Diethard K.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 133 KB

english, 2001

31

Acute-Angled Attachment of Cations in Main Group Ion−Molecule Adducts

Magnusson, Eric

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 61 KB

english, 2001

32

Ultrafast Dynamics in Superexcited States of Phenol

Schick, Carolyn P., Weber, Peter M.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 249 KB

english, 2001

33

Photoelectrons in Rb/THF Solution: Spectral Dependence of Photodetachment Cross-Section

Rozenshtein, V., Heimlich, Y., Levanon, H., Lukin, L.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 100 KB

english, 2001

34

Ultrafast Dynamics in the Three-Photon, Double-Resonance Ionization of Phenol via the S 2 Electronic State

Schick, Carolyn P., Weber, Peter M.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 149 KB

english, 2001

35

Electronic Structure and Spectra of Actinyl Ions

Matsika, S., Zhang, Z., Brozell, S. R., Blaudeau, J.-P., Wang, Q., Pitzer, R. M.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 54 KB

english, 2001