Volume 112; Issue 43

Journal of Physical Chemistry A

Volume 112; Issue 43

1

Competition of Hydrogen Bonds and Halogen Bonds in Complexes of Hypohalous Acids with Nitrogenated Bases

Alkorta, Ibon, Blanco, Fernando, Solimannejad, Mohammad, Elguero, Jose

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 468 KB

english, 2008

2

Interactions of Mono- and Divalent Metal Ions with Aspartic and Glutamic Acid Investigated with IR Photodissociation Spectroscopy and Theory

O’Brien, Jeremy T., Prell, James S., Steill, Jeff D., Oomens, Jos, Williams, Evan R.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 1.20 MB

english, 2008

3

Adsorption and Structure of Water on Kaolinite Surfaces: Possible Insight into Ice Nucleation from Grand Canonical Monte Carlo Calculations

Croteau, T., Bertram, A. K., Patey, G. N.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 1.33 MB

english, 2008

4

The Simplest Linear-Carbon-Chain Growth by Atomic-Carbon Addition and Ring Opening Reactions

Ogata, Teruhiko, Tatamitani, Yoshio

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 259 KB

english, 2008

5

Interactions in Large, Polyaromatic Hydrocarbon Dimers: Application of Density Functional Theory with Dispersion Corrections

Mackie, Iain D., DiLabio, Gino A.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 1.15 MB

english, 2008

6

Two Modifications Formed by “Sulflower” C 16 S 8 Molecules, Their Study by XRD and Optical Spectroscopy (Raman, IR, UV−Vis) Methods

Bukalov, Sergey S., Leites, Larissa A., Lyssenko, Konstantin A., Aysin, Rinat R., Korlyukov, Alexander A., Zubavichus, Jan V., Chernichenko, Konstantin Yu., Balenkova, Elizabeth S., Nenajdenko, Valent

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 1.92 MB

english, 2008

7

Changes in Water Structure Induced by the Guanidinium Cation and Implications for Protein Denaturation

Scott, J. Nathan, Nucci, Nathaniel V., Vanderkooi, Jane M.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 522 KB

english, 2008

8

Theoretical Analysis of the Intermolecular Interaction Effects on the Excitation Energy of Organic Pigments: Solid State Quinacridone

Fukunaga, Hiroo, Fedorov, Dmitri G., Chiba, Mahito, Nii, Kazumi, Kitaura, Kazuo

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 2.56 MB

english, 2008

9

Computational Study of Pharmacophores: β-Sultams

Barwick, Mathew, Abu-Izneid, Tareq, Novak, Igor

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 114 KB

english, 2008

10

Theoretical Study of the Phototoxicity of Naproxen and the Active Form of Nabumetone

Musa, Klefah A. K., Eriksson, Leif A.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 1.29 MB

english, 2008

11

Steric Effect in the Energy Transfer Reaction of N 2 + Rg ( 3 P 2 ) (Rg = Kr, Ar)

Ohoyama, H., Yasuda, K., Kasai, T.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 627 KB

english, 2008

12

Theoretical Study on Structural, Electronic, and Optical Properties of Ambipolar Diphenylamino End-capped Oligofluorenylthiophenes and Fluoroarene-thiophene as Light-emitting Materials

Ran, Xue-Qin, Feng, Ji-Kang, Liu, Yan-Ling, Ren, Ai-Min, Zou, Lu-Yi, Sun, Chia-Chung

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 1.22 MB

english, 2008

13

Molecular Structure and Benzene Ring Deformation of Three Cyanobenzenes from Gas-Phase Electron Diffraction and Quantum Chemical Calculations

Campanelli, Anna Rita, Domenicano, Aldo, Ramondo, Fabio, Hargittai, István

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 177 KB

english, 2008

14

Structure, Vibrational Spectra, and Unimolecular Dissociation of Gaseous 1-Fluoro-1-phenethyl Cations

Oomens, Jos, Kraka, Elfi, Nguyen, Michael K., Morton, Thomas Hellman

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 1.10 MB

english, 2008

15

An Experimental and Kinetic Modeling Study of the Oxidation of the Four Isomers of Butanol

Moss, Jeffrey T., Berkowitz, Andrew M., Oehlschlaeger, Matthew A., Biet, Joffrey, Warth, Valérie, Glaude, Pierre-Alexandre, Battin-Leclerc, Frédérique

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 344 KB

english, 2008

16

Geometry Optimizations and Vibrational Spectra of Large Molecules from a Generalized Energy-Based Fragmentation Approach

Hua, Weijie, Fang, Tao, Li, Wei, Yu, Jian-Guo, Li, Shuhua

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 559 KB

english, 2008

17

Investigation of Energy Deposited by Femtosecond Electron Transfer in Collisions Using Hydrated Ion Nanocalorimetry

Holm, Anne I. S., Donald, William A., Hvelplund, Preben, Larsen, Mikkel K., Nielsen, Steen Brøndsted, Williams, Evan R.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 187 KB

english, 2008

18

Photophysical Study of New Versatile Multichromophoric Diads and Triads with BODIPY and Polyphenylene Groups

Bañuelos, J., López Arbeloa, F., Arbeloa, T., Salleres, S., Amat-Guerri, F., Liras, M., López Arbeloa, I.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 386 KB

english, 2008

19

Formation and Characterization of Two FeO 3 Isomers in Solid Argon

Gong, Yu, Zhou, Mingfei

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 93 KB

english, 2008

20

Electronic and Vibrational Relaxation of Porphycene in Solution

Fita, Piotr, Radzewicz, Czesław, Waluk, Jacek

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 895 KB

english, 2008

21

Measurement of the Dielectric Relaxation Property of Water−Ion Loose Complex in Aqueous Solutions of Salt at Low Concentrations

Miyazaki, Takashi, Mogami, George, Wazawa, Tetsuichi, Kodama, Takao, Suzuki, Makoto

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 162 KB

english, 2008

22

Reaction Mechanisms of C 2 Cl 3 + NO 2 via Nitro and Nitrite Adducts

Liu, Kunhui, Xiang, Tiancheng, Wu, Weiqiang, Zhao, Shaolei, Su, Hongmei

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 231 KB

english, 2008

23

Effective Diffusion Coefficients for Methanol in Sulfuric Acid Solutions Measured by Raman Spectroscopy

Van Loon, Lisa L., Allen, Heather C., Wyslouzil, Barbara E.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 262 KB

english, 2008

24

Control of Photoinduced Electron Transfer in Zinc Phthalocyanine−Perylenediimide Dyad and Triad by the Magnesium Ion

Fukuzumi, Shunichi, Ohkubo, Kei, Ortiz, Javier, Gutiérrez, Ana M., Fernández-Lázaro, Fernando, Sastre-Santos, Ángela

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 1.29 MB

english, 2008

25

An Oligomer Study on Small Band Gap Polymers

Karsten, Bram P., Viani, Lucas, Gierschner, Johannes, Cornil, Jérôme, Janssen, René A. J.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 800 KB

english, 2008

26

A Quantum Chemical Study of the Generation of a Potential Prebiotic Compound, Cyanoacetaldehyde, and Related Sulfur Containing Species

Horn, Anne, Møllendal, Harald, Guillemin, Jean-Claude

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 1.82 MB

english, 2008

27

Raman Resonance Effect in Liquid Water

Pastorczak, Marcin, Kozanecki, Marcin, Ulanski, Jacek

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 611 KB

english, 2008

28

Density Functional Studies of the Hydrolysis of Aluminum (Chloro)Hydroxide in Water with CPMD and COSMO

Saukkoriipi, Jaakko J., Laasonen, Kari

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 899 KB

english, 2008

29

Dissociative Photoionization Mechanism of 1,8-Dihydroxyanthraquinone: An Experimental and Theoretical Study

Pan, Yang, Zhang, Lidong, Guo, Huijun, Qi, Fei

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 898 KB

english, 2008

30

Binding Energies of the Silver Ion to Alcohols and Amides: A Theoretical and Experimental Study

Romanov, Vladimir, Siu, Chi-Kit, Verkerk, Udo H., Aribi, Houssain El, Hopkinson, Alan C., Siu, K. W. Michael

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 994 KB

english, 2008

31

Photostability via Sloped Conical Intersections: A Computational Study of the Pyrene Radical Cation

Tokmachev, Andrei M., Boggio-Pasqua, Martial, Bearpark, Michael J., Robb, Michael A.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 448 KB

english, 2008

32

On the Electronic Structure and Chemical Bonding in the Tantalum Trimer Cluster

Wang, Bin, Zhai, Hua-Jin, Huang, Xin, Wang, Lai-Sheng

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 350 KB

english, 2008

33

Electronic Spectroscopy and Ultrafast Energy Relaxation Pathways in the Lowest Rydberg States of Trimethylamine

Cardoza, Job D., Rudakov, Fedor M., Weber, Peter M.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 573 KB

english, 2008

34

Push−Pull vs Captodative Aromaticity

Shainyan, Bagrat A., Fettke, Anja, Kleinpeter, Erich

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 975 KB

english, 2008

35

Experimental and Theoretical Study of Triplet Energy Transfer in Rigid Polymer Films

Merkel, Paul B., Dinnocenzo, Joseph P.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 271 KB

english, 2008

36

FTIR Identification of the ν 4 (σ u ) and ν 6 (π u ) Modes of Linear GeC 3 Ge Trapped in Solid Ar

Gonzalez, Eric, Rittby, C. M. L., Graham, W. R. M.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 243 KB

english, 2008

37

Theoretical Studies of Metallo (Li and Na)−Ene Reaction Mechanisms

Sakai, Shogo, Hikida, Takahiro

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 1.89 MB

english, 2008

38

The Role of Photoinduced Defects in TiO 2 and Its Effects on Hydrogen Evolution from Aqueous Methanol solution

Yang, Xiaoyi, Salzmann, Christoph, Shi, Huahong, Wang, Hongzhi, Green, Malcolm L. H., Xiao, Tiancun

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 620 KB

english, 2008

39

Theoretical Study of Structure, Electronic Properties, and Photophysics of Cyano-Substituted Thiophenes and Terthiophenes

Šolc, Roland, Lukeš, Vladimír, Klein, Erik, Griesser, Markus, Kelterer, Anne-Marie

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 782 KB

english, 2008

40

Optical Properties of (GaAs) n Clusters ( n = 2−16)

Gutsev, G. L., O’Neal, Jr., R. H., Saha, B. C., Mochena, M. D., Johnson, E., Bauschlicher, Jr., C. W.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 2.47 MB

english, 2008

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