Volume 112; Issue 18

Journal of Physical Chemistry A

Volume 112; Issue 18

1

Is a Proposed Reaction Mechanism Free from Unnecessary Assumptions? Occam's Razor Applied in a Mathematical Way To Complex First-Order Reaction Systems

Bergson, Göran, Linderberg, Jan

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 130 KB

english, 2008

2

Entropic Changes Control the Charge Separation Process in Triads Mimicking Photosynthetic Charge Separation

Rizzi, Alberto C., van Gastel, Maurice, Liddell, Paul A., Palacios, Rodrigo E., Moore, Gary F., Kodis, Gerdenis, Moore, Ana L., Moore, Tom A., Gust, Devens, Braslavsky, Silvia E.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 171 KB

english, 2008

3

Effective Two-Photon Absorption Cross Section of Heteroaromatic Quadrupolar Dyes: Dependence on Measurement Technique and Laser Pulse Characteristics

Signorini, Raffaella, Ferrante, Camilla, Pedron, Danilo, Zerbetto, Michele, Cecchetto, Elio, Slaviero, Matteo, Fortunati, Ilaria, Collini, Elisabetta, Bozio, Renato, Abbotto, Alessandro

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 191 KB

english, 2008

4

Theoretical Study on the Electronic States of Formylcarbene (HC·CHO) and Triplet Ketene (H2 CCO) and the Ultraviolet Absorption Spectra Attributable to These Molecules

Chaudhuri, Rajat K., Krishnamachari, S. L. N. G.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 78 KB

english, 2008

5

Calculation of Vibrational Transition Frequencies and Intensities in Water Dimer: Comparison of Different Vibrational Approaches

Kjaergaard, Henrik G., Garden, Anna L., Chaban, Galina M., Gerber, R. Benny, Matthews, Devin A., Stanton, John F.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 129 KB

english, 2008

6

Ultrafast Dynamics of the Carbonyl Stretching Vibration in Acetic Acid in Aqueous Solution Studied by Sub-Picosecond Infrared Spectroscopy

Banno, Motohiro, Ohta, Kaoru, Tominaga, Keisuke

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 202 KB

english, 2008

7

Theoretical Study of 5-Aminolevulinic Acid Tautomerization: A Novel Self-Catalyzed Mechanism

Erdtman, Edvin, Eriksson, Leif A.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 600 KB

english, 2008

8

Oscillations in the Concentration of Fluoride Ions Induced by a pH Oscillator

Horváth, Viktor, Kurin-Csörgei, Krisztina, Epstein, Irving R., Orbán, Miklós

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 232 KB

english, 2008

9

Solvation Oscillations and Excited-State Dynamics of 2-Amino- and 2-Hydroxy-7-nitrofluorene and Its 2‘-deoxyriboside

Karunakaran, Venugopal, Pfaffe, Matthias, Ioffe, Ilya, Senyushkina, Tamara, Kovalenko, Sergey A., Mahrwald, Rainer, Fartzdinov, Vadim, Sklenar, Heinz, Ernsting, Nikolaus P.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 988 KB

english, 2008

10

Homogeneous Decomposition Mechanisms of Diethylzinc by Raman Spectroscopy and Quantum Chemical Calculations

Kim, Young Seok, Won, Yong Sun, Hagelin-Weaver, Helena, Omenetto, Nicoló, Anderson, Tim

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 394 KB

english, 2008

11

Nonequilibrium Thermodynamics Formalism for Marcus Theory of Heterogeneous and Self-Exchange Electron-Transfer Rate Constants

Sethi, Richa, Sangaranarayanan, M. V.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 71 KB

english, 2008

12

Coherence Quantum Beats in Two-Dimensional Electronic Spectroscopy

Cheng, Yuan-Chung, Fleming, Graham R.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 376 KB

english, 2008

13

Intersystem Crossing Mediated by Photoinduced Intramolecular Charge Transfer: Julolidine−Anthracene Molecules with Perpendicular π Systems

Dance, Zachary E. X., Mickley, Sarah M., Wilson, Thea M., Ricks, Annie Butler, Scott, Amy M., Ratner, Mark A., Wasielewski, Michael R.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 228 KB

english, 2008

14

Density Functional Study of Adenine Tetrads with N6−H6···N3 Hydrogen Bonds

Meyer, Michael, Sühnel, Jürgen

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 173 KB

english, 2008

15

Molecular Structure and Dynamics in the Low Temperature (Orthorhombic) Phase of NH 3 BH 3

Cho, Herman, Shaw, Wendy J., Parvanov, Vencislav, Schenter, Gregory K., Karkamkar, Abhijeet, Hess, Nancy J., Mundy, Chris, Kathmann, Shawn, Sears, Jesse, Lipton, Andrew S., Ellis, Paul D., Autrey, S.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 152 KB

english, 2008

16

Ab Initio Study of Hydrogen-Bond Formation between Aliphatic and Phenolic Hydroxy Groups and Selected Amino Acid Side Chains

Nagy, Peter I., Erhardt, Paul W.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 209 KB

english, 2008

17

Geometries and Stabilities of the Carbon Clusters with the Rhodium Impurity: A Computational Investigation

Jia, Li-Chao, Zhao, Run-Ning, Han, Ju-Guang, Sheng, Liu-Si, Cai, Wei-Ping

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 200 KB

english, 2008

18

Chemical Oscillations and Waves in the Catalyzed Bromate-Pyrocatechol Reaction

Harati, Mohammad, Wang, Jichang

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 132 KB

english, 2008

19

Evidence for Emergent Chemical Bonding in Au + −Rg Complexes (Rg = Ne, Ar, Kr, and Xe)

Breckenridge, W. H., Ayles, Victoria L., Wright, Timothy G.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 59 KB

english, 2008

20

Density Functional Theory Study on OH-Initiated Atmospheric Oxidation of m -Xylene

Fan, Jiwen, Zhang, Renyi

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 730 KB

english, 2008

21

Free Radical Conformations and Conversions in X-Irradiated Single Crystals of l -Cysteic Acid by Electron Magnetic Resonance and Density Functional Theory Studies

Øhman, Kjell Tage, Sagstuen, Einar

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 280 KB

english, 2008

22

Photophysical Properties of Sulfonated Dihydroxy Phosphorus(V) Tetrabenzotriazacorrole

Huang, Lei, Zhao, Peng, Li, Zhongyu, Zhang, Fushi, Tung, Chen-Ho

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 115 KB

english, 2008

23

Geometric and Chelation Influences on the Electronic Structure and Optical Properties of Tetra(carboxylic acid)phenyleneethynylene Dyes

Berlin, Asher, Risko, Chad, Ratner, Mark A.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 109 KB

english, 2008

24

Tautomeric and Conformational Properties of Malonamic Acid Methyl Ester, NH 2 C(O)-CH 2 −C(O)OCH 3 : Electron Diffraction and Quantum Chemical Study

Belova, Natalya V., Oberhammer, Heinz, Shlykov, Sergey A.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 200 KB

english, 2008

25

A Simple Method for Estimating the Superaromatic Stabilization Energy of a Super-Ring Molecule

Aihara, Jun-ichi

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 76 KB

english, 2008

26

Direct Dynamics Study of the Hydrogen-Abstraction Reaction of 1,1,2,2,3-Fluorinated Propane with the Hydroxyl Radical

Gao, Hong, Wang, Ying, Liu, Jing-yao, Yang, Lei, Li, Ze-sheng, Sun, Chia-chung

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 271 KB

english, 2008

27

Kinetics and Mechanism of the Sonolytic Conversion of the Aqueous Perfluorinated Surfactants, Perfluorooctanoate (PFOA), and Perfluorooctane Sulfonate (PFOS) into Inorganic Products

Vecitis, Chad D., Park, Hyunwoong, Cheng, Jie, Mader, Brian T., Hoffmann, Michael R.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 189 KB

english, 2008

28

Experimental and Theoretical Analysis of the Reorientational Dynamics of Fullerene C 70 in Various Aromatic Solvents

Hughes, R. M., Mutzenhardt, P., Bartolotti, L., Rodriguez, A. A.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 141 KB

english, 2008

29

Low-Lying Singlet and Triplet Electronic States of RhB

Borin, Antonio Carlos, Gobbo, João Paulo

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 82 KB

english, 2008

30

Conformational Stability of 1-Butene: An Electron Momentum Spectroscopy Investigation

Wu, Fang, Chen, Xiangjun, Shan, Xu, Tian, Shan Xi, Li, Zhongjun, Xu, Kezun

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 198 KB

english, 2008

31

CLOPPA−IPPP Analysis of Cooperative Effects in Hydrogen-Bonded Molecular Complexes. Application to Intermolecular 2 h J (N,C) Spin−Spin Coupling Constants in Linear (CNH) n Complexes

Giribet, Claudia G., Ruiz de Azúa, Martín C.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 183 KB

english, 2008

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