Volume 113; Issue 29

Journal of Physical Chemistry A

Volume 113; Issue 29

1

Peculiarities of Multiple Cr−Cr Bonding. Insights from the Analysis of Domain-Averaged Fermi Holes

Ponec, R., Feixas, Ferran

Journal:

Journal of Physical Chemistry A

Année:

2009

Langue:

english

Fichier:

PDF, 2.80 MB

english, 2009

2

Carbon···Carbon Weak Interactions

Alkorta, Ibon, Blanco, Fernando, Elguero, José, Dobado, José A., Ferrer, Santiago Melchor, Vidal, Isaac

Journal:

Journal of Physical Chemistry A

Année:

2009

Langue:

english

Fichier:

PDF, 2.69 MB

english, 2009

3

Excited-State Dynamics of Hybrid Multichromophoric Systems: Toward an Excitation Wavelength Control of the Charge Separation Pathways

Banerji, Natalie, Duvanel, Guillaume, Perez-Velasco, Alejandro, Maity, Santanu, Sakai, Naomi, Matile, Stefan, Vauthey, Eric

Journal:

Journal of Physical Chemistry A

Année:

2009

Langue:

english

Fichier:

PDF, 1.06 MB

english, 2009

4

Oscillation and Synchronization in the Combustion of Candles

Kitahata, Hiroyuki, Taguchi, Junji, Nagayama, Masaharu, Sakurai, Tatsunari, Ikura, Yumihiko, Osa, Atsushi, Sumino, Yutaka, Tanaka, Masanobu, Yokoyama, Etsuro, Miike, Hidetoshi

Journal:

Journal of Physical Chemistry A

Année:

2009

Langue:

english

Fichier:

PDF, 1.78 MB

english, 2009

5

Structural Interpretation of J Coupling Constants in Guanosine and Deoxyguanosine: Modeling the Effects of Sugar Pucker, Backbone Conformation, and Base Pairing

Vokáčová, Zuzana, Bickelhaupt, F. Matthias, Šponer, JiYí, Sychrovský, Vladimír

Journal:

Journal of Physical Chemistry A

Année:

2009

Langue:

english

Fichier:

PDF, 687 KB

english, 2009

6

Probing Exciton Localization/Delocalization: Transient dc Photoconductivity Studies of Excited States of Symmetrical Porphyrin Monomers, Oligomers, and Supramolecular Assemblies

She, Chunxing, McGarrah, James E., Lee, Suk Joong, Goodman, Joshua L., Nguyen, SonBinh T., Williams, J. A. G., Hupp, Joseph T.

Journal:

Journal of Physical Chemistry A

Année:

2009

Langue:

english

Fichier:

PDF, 1.32 MB

english, 2009

7

New Chemical Source of the HCO Radical Following Photoexcitation of Glyoxal, (HCO) 2

Salter, Robert J., Blitz, Mark A., Heard, Dwayne E., Pilling, Michael J., Seakins, Paul W.

Journal:

Journal of Physical Chemistry A

Année:

2009

Langue:

english

Fichier:

PDF, 308 KB

english, 2009

8

Theoretical Study of Photophysical Properties of Bisindolylmaleimide Derivatives

Saita, Kenichiro, Nakazono, Manabu, Zaitsu, Kiyoshi, Nanbu, Shinkoh, Sekiya, Hiroshi

Journal:

Journal of Physical Chemistry A

Année:

2009

Langue:

english

Fichier:

PDF, 3.48 MB

english, 2009

9

Revision of the Gas-Phase Acidity Scale below 300 kcal mol −1

Leito, Ivo, Raamat, Elin, Kütt, Agnes, Saame, Jaan, Kipper, Karin, Koppel, Ilmar A., Koppel, Ivar, Zhang, Min, Mishima, Masaaki, Yagupolskii, Lev M., Garlyauskayte, Romute Yu., Filatov, Andrey A.

Journal:

Journal of Physical Chemistry A

Année:

2009

Langue:

english

Fichier:

PDF, 182 KB

english, 2009

10

Degenerate Intermolecular and Intramolecular Proton-Transfer Reactions: Electronic Structure of the Transition States

Mandal, Tarun K., Pati, Swapan K., Datta, Ayan

Journal:

Journal of Physical Chemistry A

Année:

2009

Langue:

english

Fichier:

PDF, 1.25 MB

english, 2009

11

Microwave Spectrum, Structure, Barrier to Internal Rotation, and Dipole Moment of the Aziridine−Borane Complex (C 2 H 5 N−BH 3 )

Konovalov, Alexey, Møllendal, Harald, Guillemin, Jean-Claude

Journal:

Journal of Physical Chemistry A

Année:

2009

Langue:

english

Fichier:

PDF, 227 KB

english, 2009

12

Photoinduced Hydrogen-Atom Eliminations of 6-Hydroxyquinoline and 7-Hydroxyquinoline Studied by Low-Temperature Matrix-Isolation Infrared Spectroscopy and Density-Functional-Theory Calculations

Sekine, Masahiko, Nagai, Yuko, Sekiya, Hiroshi, Nakata, Munetaka

Journal:

Journal of Physical Chemistry A

Année:

2009

Langue:

english

Fichier:

PDF, 990 KB

english, 2009

13

Calculated Raman Optical Activity Spectra of 1,6-Anhydro-β- d -glucopyranose

Luber, Sandra, Reiher, Markus

Journal:

Journal of Physical Chemistry A

Année:

2009

Langue:

english

Fichier:

PDF, 3.28 MB

english, 2009

14

The Dissociation of Diacetyl: A Shock Tube and Theoretical Study

Yang, Xueliang, Jasper, Ahren W., Kiefer, John H., Tranter, Robert S.

Journal:

Journal of Physical Chemistry A

Année:

2009

Langue:

english

Fichier:

PDF, 892 KB

english, 2009

15

The Isomerization Barrier in Cyanocyclobutadienes: An ab Initio Multireference Average Quadratic Coupled Cluster Study

Eckert-Maksić, Mirjana, Lischka, Hans, Maksić, Zvonimir B., Vazdar, Mario

Journal:

Journal of Physical Chemistry A

Année:

2009

Langue:

english

Fichier:

PDF, 565 KB

english, 2009

16

Observation of Proton Transfer in 2-Aminopyridine Dimer by Electron and Mass Spectroscopy

Samoylova, Elena, Radloff, Wolfgang, Ritze, Hans-Hermann, Schultz, Thomas

Journal:

Journal of Physical Chemistry A

Année:

2009

Langue:

english

Fichier:

PDF, 702 KB

english, 2009

17

Precipitation Pattern Formation in the Copper(II) Oxalate System with Gravity Flow and Axial Symmetry

Baker, A., Tóth, Á., Horváth, D., Walkush, J., Ali, A. S., Morgan, W., Kukovecz, Á., Pantaleone, J. J., Maselko, J.

Journal:

Journal of Physical Chemistry A

Année:

2009

Langue:

english

Fichier:

PDF, 1.70 MB

english, 2009

18

Electron Densities of Three B 12 Vitamins

Mebs, Stefan, Henn, Julian, Dittrich, Birger, Paulmann, Carsten, Luger, Peter

Journal:

Journal of Physical Chemistry A

Année:

2009

Langue:

english

Fichier:

PDF, 2.66 MB

english, 2009

19

Fluctuations at the Base Pair Level Effecting Charge Transfer in DNA

Mallajosyula, Sairam S., Gupta, Ashutosh, Pati, Swapan K.

Journal:

Journal of Physical Chemistry A

Année:

2009

Langue:

english

Fichier:

PDF, 20 KB

english, 2009

20

Decomposition and Vibrational Relaxation in CH 3 I and Self-Reaction of CH 3 Radicals

Yang, Xueliang, Goldsmith, C. Franklin, Tranter, Robert S.

Journal:

Journal of Physical Chemistry A

Année:

2009

Langue:

english

Fichier:

PDF, 1.03 MB

english, 2009

21

Acid Dissociation versus Molecular Association of Perfluoroalkyl Oxoacids: Environmental Implications

Cheng, Jie, Psillakis, Elefteria, Hoffmann, M. R., Colussi, A. J.

Journal:

Journal of Physical Chemistry A

Année:

2009

Langue:

english

Fichier:

PDF, 815 KB

english, 2009

22

Heterogeneous CO 2 Evolution from Oxidation of Aromatic Carbon-Based Materials

Orrego, Juan F., Zapata, Felipe, Truong, Thanh N., Mondragón, Fanor

Journal:

Journal of Physical Chemistry A

Année:

2009

Langue:

english

Fichier:

PDF, 673 KB

english, 2009

23

Conformation-Dependent Chemical Reaction of Formic Acid with an Oxygen Atom

Khriachtchev, Leonid, Domanskaya, Alexandra, Marushkevich, Kseniya, Räsänen, Markku, Grigorenko, Bella, Ermilov, Alexander, Andrijchenko, Natalya, Nemukhin, Alexander

Journal:

Journal of Physical Chemistry A

Année:

2009

Langue:

english

Fichier:

PDF, 675 KB

english, 2009

24

Oxidation of Tryptamine and 5-Hydroxytryptamine: A Pulse Radiolysis and Quantum Chemical Study

Gaikwad, P., Priyadarsini, K. I., Naumov, S., Rao, B. S. M.

Journal:

Journal of Physical Chemistry A

Année:

2009

Langue:

english

Fichier:

PDF, 1.08 MB

english, 2009

25

Obtaining Low-Frequency Spectra of Acetone Dissolved in Cyclohexane by Terahertz Time-Domain Spectroscopy

Dutta, Partha, Tominaga, Keisuke

Journal:

Journal of Physical Chemistry A

Année:

2009

Langue:

english

Fichier:

PDF, 2.36 MB

english, 2009

26

Theoretical Study of Reactions in the Multiple Well H 2 /S 2 System

Zhou, Chenlai (Ryan), Sendt, Karina, Haynes, Brian S.

Journal:

Journal of Physical Chemistry A

Année:

2009

Langue:

english

Fichier:

PDF, 541 KB

english, 2009

27

Exploring the Time-Scales of H-Atom Detachment from Photoexcited Phenol- h 6 and Phenol- d 5 : Statistical vs Nonstatistical Decay

Iqbal, Azhar, Cheung, Michelle S. Y., Nix, Michael G. D., Stavros, Vasilios G.

Journal:

Journal of Physical Chemistry A

Année:

2009

Langue:

english

Fichier:

PDF, 466 KB

english, 2009

28

Ultraviolet Photodepletion Spectroscopy of Dibenzo-18-Crown-6-Ether Complexes with Alkali Metal Cations

Choi, Chang Min, Kim, Hwan Jin, Lee, Jun Ho, Shin, Won Jik, Yoon, Tae Oh, Kim, Nam Joon, Heo, Jiyoung

Journal:

Journal of Physical Chemistry A

Année:

2009

Langue:

english

Fichier:

PDF, 1.85 MB

english, 2009

29

Kinetics of the Hydrogen Abstraction C 2 H 3• + Alkane → C 2 H 4 + Alkyl Radical Reaction Class

Muszyńska, Marta, Ratkiewicz, Artur, Huynh, Lam K., Truong, Thanh N.

Journal:

Journal of Physical Chemistry A

Année:

2009

Langue:

english

Fichier:

PDF, 2.80 MB

english, 2009

30

Information Content in O[1s] K-edge X-ray Emission Spectroscopy of Liquid Water

Odelius, Michael

Journal:

Journal of Physical Chemistry A

Année:

2009

Langue:

english

Fichier:

PDF, 415 KB

english, 2009

31

Theoretical Study of 1 Σ + States of Alkali Hydride XH Molecule (X = Na, K and Rb) in Adiabatic and Nonadiabatic Representations

Journal:

Journal of Physical Chemistry A

Année:

2009

Langue:

english

Fichier:

PDF, 628 KB

english, 2009

32

On the Structure Elucidation Using Ion Mobility Spectrometry and Molecular Dynamics

Fernandez-Lima, F. A., Wei, H., Gao, Y. Q., Russell, D. H.

Journal:

Journal of Physical Chemistry A

Année:

2009

Langue:

english

Fichier:

PDF, 5.21 MB

english, 2009

33

Characterizing Complexes with F−Li + −F Lithium Bonds: Structures, Binding Energies, and Spin−Spin Coupling Constants

Del Bene, Janet E., Alkorta, Ibon, Elguero, José

Journal:

Journal of Physical Chemistry A

Année:

2009

Langue:

english

Fichier:

PDF, 918 KB

english, 2009

34

Microsolvation and Protonation Effects on Geometric and Electronic Structures of Tryptophan and Tryptophan-Containing Dipeptides

Fujihara, Akimasa, Noguchi, Naoki, Yamada, Yuji, Ishikawa, Haruki, Fuke, Kiyokazu

Journal:

Journal of Physical Chemistry A

Année:

2009

Langue:

english

Fichier:

PDF, 1.12 MB

english, 2009

35

Theoretical Study of Photochromic Compounds. 1. Bond Length Alternation and Absorption Spectra for the Open and Closed Forms of 29 Diarylethene Derivatives

Patel, Pansy D., Masunov, Artëm E.

Journal:

Journal of Physical Chemistry A

Année:

2009

Langue:

english

Fichier:

PDF, 275 KB

english, 2009

36

Conformational and Vibrational Analysis of Methyl Methanesulfonate, CH 3 SO 2 OCH 3

Tuttolomondo, María E., Navarro, Amparo, Peña, Tomás, Varetti, Eduardo L., Parker, Stewart F., Ben Altabef, Aída

Journal:

Journal of Physical Chemistry A

Année:

2009

Langue:

english

Fichier:

PDF, 547 KB

english, 2009

37

A Thermodynamic and Kinetic Characterization of the Solvent Dependence of the Saddle−Crown Equilibrium of Cyclotriveratrylene Oxime

French, David C., Lutz, Marlon R., Lu, Chichi, Zeller, Matthias, Becker, Daniel P.

Journal:

Journal of Physical Chemistry A

Année:

2009

Langue:

english

Fichier:

PDF, 988 KB

english, 2009

38

Cavity Ring-Down Laser Absorption Spectroscopy of Jet-Cooled L -Tryptophan

Rouillé, Gaël, Arold, Marco, Staicu, Angela, Henning, Thomas, Huisken, Friedrich

Journal:

Journal of Physical Chemistry A

Année:

2009

Langue:

english

Fichier:

PDF, 1.45 MB

english, 2009

39

Benchmark Thermochemistry of the C n H 2 n +2 Alkane Isomers ( n = 2−8) and Performance of DFT and Composite Ab Initio Methods for Dispersion-Driven Isomeric Equilibria

Karton, Amir, Gruzman, David, Martin, Jan M. L.

Journal:

Journal of Physical Chemistry A

Année:

2009

Langue:

english

Fichier:

PDF, 141 KB

english, 2009