Volume 115; Issue 50

Journal of Physical Chemistry A

Volume 115; Issue 50

1

Elongation of Lifetime of the Charge-Separated State of Ferrocene–Naphthalenediimide–[60]Fullerene Triad via Stepwise Electron Transfer

Supur, Mustafa, El-Khouly, Mohamed E., Seok, Jai Han, Kay, Kwang-Yol, Fukuzumi, Shunichi

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 2.65 MB

english, 2011

2

A Mechanistic Study of the 2-Thienylmethyl + HO 2 Radical Recombination Reaction

Song, Xinli, Parish, Carol A.

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 4.28 MB

english, 2011

3

Vibrationally Induced Dissociation of Sulfuric Acid (H 2 SO 4 )

Yosa, Juvenal, Meuwly, Markus

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 1.23 MB

english, 2011

4

Hole Transport in Triphenylamine Based OLED Devices: From Theoretical Modeling to Properties Prediction

Cias, Pawel, Slugovc, Christian, Gescheidt, Georg

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 892 KB

english, 2011

5

Onset of Hydrogen Bonded Collective Network of Water in 1,4-Dioxane

Luong, Trung Quan, Verma, Pramod Kumar, Mitra, Rajib Kumar, Havenith, Martina

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 2.50 MB

english, 2011

6

Stereochemical Dependence of 3J CH Coupling Constants in 2-Substituted 4- t -Butyl-cyclohexanone and Their Alcohol Derivatives

Favaro, Denize C., Ducati, Lucas C., dos Santos, Francisco P., Contreras, Rubén H., Tormena, Cláudio F.

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 1.09 MB

english, 2011

7

Periodic Projector Augmented Wave Density Functional Calculations on the Hexachlorobenzene Crystal and Comparison with the Experimental Multipolar Charge Density Model

Aubert, Emmanuel, Lebègue, Sébastien, Marsman, Martijn, Bui, Thai Thanh Thu, Jelsch, Christian, Dahaoui, Slimane, Espinosa, Enrique, Ángyán, János G.

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 4.85 MB

english, 2011

8

Theoretical Studies on Molecular and Structures of Mono- and Binuclear Chromium Carbazole Derivatives for Optoelectronics

Sun, Haitao, Tian, Xiaohui, Wang, Jun, Zhang, Jian, Yuan, Yizhong, Sun, Zhen-Rong

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 1.91 MB

english, 2011

9

Phenomenological Kinetics of the Thermal Decomposition of Sodium Hydrogencarbonate

Koga, Nobuyoshi, Maruta, Shuya, Kimura, Tomoyasu, Yamada, Shuto

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 6.27 MB

english, 2011

10

Photoinduced Electron Transfer (PET) Based Zn 2+ Fluorescent Probe: Transformation of Turn-On Sensors into Ratiometric Ones with Dual Emission in Acetonitrile

Ashokkumar, P., Ramakrishnan, V. T., Ramamurthy, P.

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 1.35 MB

english, 2011

11

Comprehensive Kinetic and Thermodynamic Study of the Reactions of CO 2 (aq) and HCO 3– with Monoethanolamine (MEA) in Aqueous Solution

Conway, William, Wang, Xiaoguang, Fernandes, Debra, Burns, Robert, Lawrance, Geoffrey, Puxty, Graeme, Maeder, Marcel

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 3.24 MB

english, 2011

12

Structure of the Aqueous Electron: Assessment of One-Electron Pseudopotential Models in Comparison to Experimental Data and Time-Dependent Density Functional Theory

Herbert, John M., Jacobson, Leif D.

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 3.47 MB

english, 2011

13

Resonance Raman Intensity Analysis of the A Band Short-Time Photochemical Dynamics of 4,5-Ethylenedithio-1,3-dithiole-2-thione

Wang, Huigang, Zhang, Wenfei, Liu, Bo, Shen, Shaosong, Zheng, Xuming, Pei, Kemei, Chen, Lijiang

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 2.30 MB

english, 2011

14

Deactivation Pathways for Metal-to-Ligand Charge-Transfer Excited States of Ruthenium Polypyridyl Complexes with Triphenylphosphine as a Ligand

Litke, Sergey V., Ershov, Aleksei Yu., Meyer, Thomas J.

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 1.33 MB

english, 2011

15

Oligomerization Oscillations of l -Lactic Acid in Solution

Sajewicz, Mieczysław, Dolnik, Miloš, Kronenbach, Dorota, Gontarska, Monika, Kowalska, Teresa, Epstein, Irving R.

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 4.12 MB

english, 2011

16

Theoretical Studies of Host–Guest Interaction in Gas Hydrates

Kumar, Pradeep, Sathyamurthy, N.

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 3.36 MB

english, 2011

17

Reactions of OH Radicals with C 6 –C 10 Cycloalkanes in the Presence of NO: Isomerization of C 7 –C 10 Cycloalkoxy Radicals

Aschmann, Sara M., Arey, Janet, Atkinson, Roger

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 1.19 MB

english, 2011

18

Sensitive Fluorescent Detection and Lewis Basicity of Aliphatic Amines

Oliveri, Ivan Pietro, Di Bella, Santo

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 1.89 MB

english, 2011

19

Electron Kinetic Energies from Vibrationally Promoted Surface Exoemission: Evidence for a Vibrational Autodetachment Mechanism

LaRue, Jerry L., Schäfer, Tim, Matsiev, Daniel, Velarde, Luis, Nahler, N. Hendrik, Auerbach, Daniel J., Wodtke, Alec M.

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 2.79 MB

english, 2011

20

Ultrafast Dynamics of Isolated Fluorenone

Köhler, Juliane, Hemberger, Patrick, Fischer, Ingo, Piani, Giovanni, Poisson, Lionel

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 1.95 MB

english, 2011

21

Structural, Elastic Constant, and Vibrational Properties of Wurtzite Gallium Nitride: A First-Principles Approach

Usman, Zahid, Cao, Chuanbao, Khan, Waheed S., Mahmood, Tariq, Hussain, Sajad, Nabi, Ghulam

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 1.52 MB

english, 2011

22

Spectroscopy of HF and HF-Containing Clusters in Solid Parahydrogen

Miyamoto, Yuki, Ooe, Hiroki, Kuma, Susumu, Kawaguchi, Kentarou, Nakajima, Kyo, Nakano, Itsuo, Sasao, Noboru, Tang, Jian, Taniguchi, Takashi, Yoshimura, Motohiko

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 1.16 MB

english, 2011

23

Intermolecular Vibrations and Diffusive Orientational Dynamics of C s Condensed Ring Aromatic Molecular Liquids

Shirota, Hideaki

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 4.31 MB

english, 2011

24

Carbon Dioxide Coordination and Activation by Niobium Oxide Molecules

Zhou, Mingfei, Zhou, Zijian, Zhuang, Jia, Li, Zhen Hua, Fan, Kangnian, Zhao, Yanying, Zheng, Xuming

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 2.07 MB

english, 2011

25

Statistical Theory for the Kinetics and Dynamics of Roaming Reactions

Klippenstein, Stephen J., Georgievskii, Yuri, Harding, Lawrence B.

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 3.23 MB

english, 2011

26

Chiral Distinction by Ultrashort Laser Pulses: Electron Wavepacket Dynamics Incorporating Magnetic Interactions

Kröner, Dominik

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 1.85 MB

english, 2011

27

Quantum Chemistry Study on Internal Conversion of Diphenyldibenzofulvene in Solid Phase

Li, Ming-Chung, Hayashi, Michitoshi, Lin, Sheng-Hsien

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 2.16 MB

english, 2011

28

Microwave Spectra and Gas Phase Structural Parameters for N -Hydroxypyridine-2(1 H )-thione

Daly, Adam M., Mitchell, Erik G., Sanchez, Daniel A., Block, Eric, Kukolich, Stephen G.

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 1.86 MB

english, 2011

29

Early Events in the Photochemistry of 1,2,3-Thiadiazole Studied by Ultrafast Time-Resolved UV–Vis and IR Spectroscopies

Burdzinski, Gotard, Sliwa, Michel, Zhang, Yunlong, Delbaere, Stéphanie

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 1.45 MB

english, 2011

30

Exponential Sensitivity and Speciation of Al(III), Sc(III), Y(III), La(III), and Gd(III) at Fused Silica/Water Interfaces

Jordan, David S., Saslow, Sarah A., Geiger, Franz M.

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 1.58 MB

english, 2011

31

Theoretical Calculation of the OH Vibrational Overtone Spectra of 1,5-Pentanediol and 1,6-Hexanediol

Chen, Hui-Yi, Cheng, Yu-Lung, Takahashi, Kaito

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 3.45 MB

english, 2011

32

The Role of Triplet State Keto–Enol Tautomerism in the Photodeamination of Metamitron

Kouras-Hadef, Sofia, de Sainte-Claire, Pascal, ter Halle, Alexandra, Amine-Khodja, Amina, Richard, Claire

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 3.94 MB

english, 2011

33

Noncovalent Interactions between Modified Cytosine and Guanine DNA Base Pair Mimics Investigated by Terahertz Spectroscopy and Solid-State Density Functional Theory

King, Matthew D., Korter, Timothy M.

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 1.17 MB

english, 2011

34

Matrix Infrared Spectra and Theoretical Studies of Thorium Oxide Species: ThO x and Th 2 O y

Andrews, Lester, Gong, Yu, Liang, Binyong, Jackson, Virgil E., Flamerich, Ryan, Li, Shenggang, Dixon, David A.

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 1.26 MB

english, 2011

35

Acceleration of Ammonium Nitrite Denitrification by Freezing: Determination of Activation Energy from the Temperature of Maximum Reaction Rate

Takenaka, Norimichi, Takahashi, Itaru, Suekane, Hiroshi, Yamamoto, Koji, Sadanaga, Yasuhiro, Bandow, Hiroshi

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 960 KB

english, 2011

36

Direct Measurements of the Rate Constants of the Reactions NCN + NO and NCN + NO 2 Behind Shock Waves

Dammeier, J., Friedrichs, G.

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 1.30 MB

english, 2011

37

Proton Transfer from 2-Naphthol to Aliphatic Amines in Supercritical CO 2

Simoncelli, Sabrina, Hoijemberg, Pablo. A., Japas, M. Laura, Aramendía, Pedro F.

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 1.53 MB

english, 2011

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