Volume 110; Issue 37

Journal of Physical Chemistry A

Volume 110; Issue 37

1

Theoretical Study of the Ar−, Kr−, and Xe−CH4, −CF4 Intermolecular Potential-Energy Surfaces

Alexander, William A., Troya, Diego

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 431 KB

english, 2006

2

Aliphatic C−H/π Interactions: Methane−Benzene, Methane−Phenol, and Methane−Indole Complexes

Ringer, Ashley L., Figgs, Michelle S., Sinnokrot, Mutasem O., Sherrill, C. David

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 231 KB

english, 2006

3

High-Accuracy Quantum Mechanical Studies of π−π Interactions in Benzene Dimers

Sinnokrot, Mutasem Omar, Sherrill, C. David

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 400 KB

english, 2006

4

Estimates of the Energy of Intramolecular Hydrogen Bonds

Jabłoński, Mirosław, Kaczmarek, Anna, Sadlej, Andrzej J.

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 153 KB

english, 2006

5

Enhancement of Sonochemical Reaction Rate by Addition of Micrometer-Sized Air Bubbles

Tuziuti, Toru, Yasui, Kyuichi, Kozuka, Teruyuki, Towata, Atsuya, Iida, Yasuo

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 233 KB

english, 2006

6

Ultrafast Excited State Dynamics of Modified Phthalocyanines: p-HPcZn and p-HPcCo

Yan, Yongli, Lu, Shan, Li, Bo, Zhu, Rongyi, Zhou, Jiahong, Wei, Shaohua, Qian, Shixiong

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 161 KB

english, 2006

7

Infrared Spectroscopy of Solid Hydrogen Sulfide and Deuterium Sulfide

Fathe, Kristin, Holt, Jennifer S., Oxley, Susan P., Pursell, Christopher J.

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 164 KB

english, 2006

8

Crystal Structure, Spectroscopic, and Theoretical Investigations of Excited-State Proton Transfer in the Doubly Hydrogen-Bonded Dimer of 2-Butylamino-6-methyl-4-nitropyridine N -Oxide

Szemik-Hojniak, Anna, Deperasiñska, Irena, Jerzykiewicz, Lucjan, Sobota, Piotr, Hojniak, Marek, Puszko, Aniela, Haraszkiewicz, Natalia, van der Zwan, Gert, Jacques, Patrice

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 261 KB

english, 2006

9

Relationship between the Charge Distribution and Dipole Moment Functions of CO and the Related Molecules CS, SiO, and SiS

Harrison, James F.

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 299 KB

english, 2006

10

Quantum Chemical Investigation of Low-Temperature Intramolecular Hydrogen Transfer Reactions of Hydrocarbons

Pfaendtner, Jim, Yu, Xinrui, Broadbelt, Linda J.

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 112 KB

english, 2006

11

Raman Spectroscopic Study on the Hydration Structures of Tetraethylammonium Cation in Water

Takekiyo, Takahiro, Yoshimura, Yukihiro

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 103 KB

english, 2006

12

Theoretical Study of the Substituent Effects on the S−H Bond Dissociation Energy and Ionization Energy of 3-Pyridinethiol: Prediction of Novel Antioxidant

Nam, Pham Cam, Nguyen, Minh Tho, Chandra, Asit K.

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 121 KB

english, 2006

13

Photoluminescence Electron-Transfer Quenching of Rhenium(I) Rectangles with Amines

Thanasekaran, P., Liao, Rong-Tang, Manimaran, Bala., Liu, Yen-Hsiang, Chou, Pi-Tai, Rajagopal, S., Lu, Kuang-Lieh

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 105 KB

english, 2006

14

Inherent Structures of Crystalline Tetracene

Della Valle, Raffaele Guido, Venuti, Elisabetta, Brillante, Aldo, Girlando, Alberto

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 158 KB

english, 2006

15

Effects of Localized Triplet Exciton on Reactivity of Photoinduced ω-Bond Dissociation in Naphthyl Phenyl Ketones Having π,π* Lowest Triplet (T 1 ) States Studied by Laser Flash Photolysis

Yamaji, Minoru, Ogasawara, Michiyo, Inomata, Susumu, Nakajima, Satoru, Tero-Kubota, Shozo, Tobita, Seiji, Marciniak, Bronislaw

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 120 KB

english, 2006

16

Intense Photoluminescence from Mixed Solutions of C 70 and Palladium Octaethylporphyrin: A Supramolecular Heavy Atom Effect

Tsyboulski, Dmitri A., Bachilo, Sergei M., Weisman, R. Bruce

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 120 KB

english, 2006

17

Methyl 3-Methyl-2 H -azirine-2-carboxylate Photochemistry Studied by Matrix-isolation FTIR and DFT Calculations

Kaczor, Agnieszka, Gómez-Zavaglia, Andrea, Cardoso, Ana L., Pinho e Melo, Teresa M. V. D., Fausto, Rui

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 196 KB

english, 2006

18

Dissociation Mechanism of a Stable Intermediate: Perfluorohydroxylamine

Sayin, Hasan, McKee, Michael L.

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 684 KB

english, 2006

19

Unimolecular Decomposition of Chemically Activated Pentatetraene (H 2 CCCCCH 2 ) Intermediates: A Crossed Beams Study of Dicarbon Molecule Reactions with Allene

Guo, Ying, Gu, Xibin, Zhang, Fangtong, Mebel, Alexander M., Kaiser, Ralf I.

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 370 KB

english, 2006

20

Stochastic Approach to Data Analysis in Fluorescence Correlation Spectroscopy

Rao, Ramachandra, Langoju, Rajesh, Gösch, Michael, Rigler, Per, Serov, Alexandre, Lasser, Theo

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 318 KB

english, 2006

21

Electron Correlation Effects in the Fe Dimer

Rollmann, Georg, Herper, Heike C., Entel, Peter

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 161 KB

english, 2006

22

Assessing the Roles of the Constituents of Ionic Liquids in Dynamic Solvation: Comparison of an Ionic Liquid in Micellar and Bulk Form

Mukherjee, Prasun, Crank, Jeffrey A., Halder, Mintu, Armstrong, Daniel W., Petrich, Jacob W.

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 102 KB

english, 2006

23

Metal- and Ligation-Dependent Fragmentation of [M(1,10-Phenanthroline) 1,2,3 ] 2+ Cations with M = Mn, Fe, Co, Ni, Cu, and Zn: Comparison between the Gas Phase and Solution

Anichina, Janna, Zhao, Xiang, Bohme, Diethard K.

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 110 KB

english, 2006

24

Product Angular Distribution for the H + CD 4 → HD + CD 3 Reaction

Rangel, C., Sansón, J., Corchado, J. C., Espinosa-Garcia, J., Nyman, G.

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 74 KB

english, 2006

25

Novel Method for the Measurement of Xenon Gas Solubility Using 129 Xe NMR Spectroscopy

Segebarth, Nicolas, Aïtjeddig, Lhoucine, Locci, Emanuela, Bartik, Kristin, Luhmer, Michel

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 105 KB

english, 2006

26

Geometrical Features of Hydrogen Bonded Complexes Involving Sterically Hindered Pyridines

Andreeva, Daria V., Ip, Brenda, Gurinov, Andrey A., Tolstoy, Peter M., Denisov, Gleb S., Shenderovich, Ilja G., Limbach, Hans-Heinrich

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 145 KB

english, 2006

27

Structure and Energetics of Gaseous HZnCl

Kerkines, Ioannis S. K., Mavridis, Aristides, Karipidis, Paraskevas A.

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 74 KB

english, 2006

28

Photoelectron Spectroscopy of Free Multiply Charged Keggin Anions α-[PM 12 O 40 ] 3- (M = Mo, W) in the Gas Phase

Waters, Tom, Huang, Xin, Wang, Xue-Bin, Woo, Hin-Koon, O'Hair, Richard A. J., Wedd, Anthony G., Wang, Lai-Sheng

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 249 KB

english, 2006

29

Matrix Isolation Infrared Spectroscopic and Theoretical Study of NgMO (Ng = Ar, Kr, Xe; M = Cr, Mn, Fe, Co, Ni) Complexes

Zhao, Yanying, Gong, Yu, Zhou, Mingfei

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 80 KB

english, 2006

30

Theoretical Investigation of Hydrogen Bonds between CO and HNF 2 , H 2 NF, and HNO †

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 387 KB

english, 2006

31

Gas-Phase Reactions of Brominated Diphenyl Ethers with OH Radicals

Raff, Jonathan D., Hites, Ronald A.

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 137 KB

english, 2006

32

The Reaction of Nitrogen Atoms with Methyl Radicals: Are Spin-Forbidden Channels Important?

Cimas, Alvaro, Largo, Antonio

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 154 KB

english, 2006

33

Competition between Nonclassical Hydrogen-Bonded Acceptor Sites in Complexes of Neutral AH 2 Radicals (A = B, Al, and Ga): A Theoretical Investigation

Solimannejad, Mohammad, Alkorta, Ibon

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 176 KB

english, 2006

34

Theoretical Nitrogen NMR Chemical Shifts in Octahedral Boron Nitride Cages

Barone, Verónica, Koller, Andrew, Scuseria, Gustavo E.

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 185 KB

english, 2006

35

Reorganization of The Journal of Physical Chemistry

Schatz, George C.

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 9 KB

english, 2006

36

Time-Resolved Infrared Absorption Study of Cyclopentadienyl Manganese Tricarbonyl Derivatives: Chelation of Pendant Sulfides in Acetonitrile

To, Tung T., Heilweil, Edwin J., Burkey, Theodore J.

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 100 KB

english, 2006

37

The π−π Stacked Geometries and Association Thermodynamics of Quinacridone Derivatives Studied by 1 H NMR

Sun, Hui, Ye, Kaiqi, Wang, Chunyu, Qi, Haiyan, Li, Fei, Wang, Yue

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 163 KB

english, 2006

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