Volume 114; Issue 30

Journal of Physical Chemistry A

Volume 114; Issue 30

1

Structure and Thermochemical Properties of 2-Methoxyfuran, 3-Methoxyfuran, and Their Carbon-Centered Radicals Using Computational Chemistry

Hudzik, Jason M., Bozzelli, Joseph W.

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 243 KB

english, 2010

2

Theoretical and Experimental Spectroscopic Approach of Fluorinated Ln3+−β-Diketonate Complexes

dos Santos, Edjane R., Freire, Ricardo O., da Costa, Nivan B., Paz, Filipe A. Almeida, de Simone, Carlos A., Júnior, Severino A., Araújo, Adriano A. S., Nunes, Luiz Antônio O., de Mesquita, Maria E

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 2.44 MB

english, 2010

3

Joint Experimental and DFT Study of the Gas-Phase Unimolecular Elimination Kinetic of Methyl Trifluoropyruvate

Tosta, María M., Mora, José R., Córdova, Tania, Chuchani, Gabriel

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 165 KB

english, 2010

4

Some Geometric and Electronic Structural Effects of Perfluorinating Propionyl Chloride

Grubbs, G. S., Powoski, R. A., Jojola, D., Cooke, S. A.

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 519 KB

english, 2010

5

Radiation and Quantum Chemical Studies of Chalcone Derivatives

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

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 639 KB

english, 2010

6

Theory of Excited State Decays and Optical Spectra: Application to Polyatomic Molecules

Niu, Yingli, Peng, Qian, Deng, Chunmei, Gao, Xing, Shuai, Zhigang

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 3.14 MB

english, 2010

7

Multireference Configuration Interaction Study of the Vibronic Transitions and Photodissociation of Vinyl Bromide and Vinyl Chloride Radical Cations in the Second Excited State

Yamaguchi, Makoto

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 804 KB

english, 2010

8

Generalized Kinetic Master Plots for the Thermal Degradation of Polymers Following a Random Scission Mechanism

Sánchez-Jiménez, Pedro E., Pérez-Maqueda, Luis A., Perejón, Antonio, Criado, José M.

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 917 KB

english, 2010

9

The Search for Protonated Dihydrogen Trioxide (HOOOH): Insights from Theory and Experiment

Tuttle, Tell, Cerkovnik, Janez, Koller, Jože, Plesničar, Božo

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 313 KB

english, 2010

10

Comparative Studies of the Dynamics in Viscous Liquids by Means of Dielectric Spectroscopy and Field Cycling NMR

Meier, R., Kahlau, R., Kruk, D., Rössler, E. A.

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 2.61 MB

english, 2010

11

Frequency-Domain Measurement of Luminescent Lanthanide Chelates

Hyppänen, Iko, Soukka, Tero, Kankare, Jouko

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 820 KB

english, 2010

12

Monitoring of Spatiotemporal Patterns in the Oscillatory Chemical Reactions with the Infrared Camera: Experiments and Model Interpretation

Pekala, Katarzyna, Wiśniewski, Albin, Jurczakowski, Rafał, Wiśniewski, Tomasz, Wojdyga, Małgorzata, Orlik, Marek

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 4.02 MB

english, 2010

13

Reinvestigation of the Reaction of Ethylene and Singlet Oxygen by the Approximate Spin Projection Method. Comparison with Multireference Coupled-Cluster Calculations

Saito, Toru, Nishihara, Satomichi, Kataoka, Yusuke, Nakanishi, Yasuyuki, Kitagawa, Yasutaka, Kawakami, Takashi, Yamanaka, Shusuke, Okumura, Mitsutaka, Yamaguchi, Kizashi

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 204 KB

english, 2010

14

Decomposition and Isomerization of 5-Methylhex-1-yl Radical

Awan, Iftikhar A., McGivern, W. Sean, Tsang, Wing, Manion, Jeffrey A.

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 2.37 MB

english, 2010

15

Stability Rules of Main-Group Element Compounds with Planar Tetracoordinate Carbons

Zhang, Congjie, Jia, Wenhong, Cao, Zexing

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 579 KB

english, 2010

16

Comment on “On the Electron Affinity of Nitromethane (CH 3 NO 2 )”

Bull, James N., Maclagan, Robert G. A. R., Harland, Peter W.

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 60 KB

english, 2010

17

Comment on “The Conical Intersection Dominates the Generation of Tropospheric Hydroxyl Radicals from NO 2 and H 2 O”

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 305 KB

english, 2010

18

Role of Second Coordination Sphere Amino Acid Residues on the Proton Transfer Mechanism of Human Carbonic Anhydrase II (HCA II)

Hakkim, V., Subramanian, V.

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 2.74 MB

english, 2010

19

Reply to “Comment on ‘The Conical Intersection Dominates the Generation of Tropospheric Hydroxyl Radical from NO 2 and H 2 O’”

Chen, Xuebo, Fang, Weihai

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 33 KB

english, 2010

20

Erratum: The Unusual Solid-State Structure of Mercury Oxide: Relativistic Density Functional Calculations for the Group 12 Oxides ZnO, CdO and HgO

Biering, Susan, Hermann, Andreas, Furthmüller, Jürgen, Schwerdtfeger, P.

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 142 KB

english, 2010

21

Cavity Ring Down and Fourier Transform Infrared Spectroscopy at Low Temperatures (84−297 K): Fermi Resonance and Intensities of the C−H Fundamental and Overtone (Δυ = 1−6) Transitions of CHD 3

Perez-Delgado, Yasnahir, Manzanares, Carlos E.

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 1009 KB

english, 2010

22

Excited-State Intramolecular Proton Transfer (ESIPT) Fine Tuned by Quinoline−Pyrazole Isomerism: π-Conjugation Effect on ESIPT

Chung, Min-Wen, Lin, Tsung-Yi, Hsieh, Cheng-Chih, Tang, Kuo-Chun, Fu, Hungshin, Chou, Pi-Tai, Yang, Shen-Han, Chi, Yun

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 1.01 MB

english, 2010

23

Structures and Energetics of Unimolecular Thermal Degradation of Isopropyl Butanoate as a Model Biofuel: Density Functional Theory and Ab Initio Studies

El-Nahas, Ahmed M., Heikal, Lobna A., Mangood, Ahmed H., El-Shereefy, El-Sayed E.

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 2.17 MB

english, 2010

24

Photoinduced Electron-Transfer Reactions: A Study of the Diffusion-Controlled and Activation-Diffusion-Controlled Processes

Villa, I., Sanchez, F., Lopes, T., Lopez-Cornejo, P., Perez-Tejeda, P.

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 179 KB

english, 2010

25

Simple Charge-Transfer Model for Metallic Complexes

Ramírez-Ramírez, José-Zeferino, Vargas, Rubicelia, Garza, Jorge, Gázquez, José L.

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 233 KB

english, 2010

26

Modeling of Interactions Between Iodine Interphase Transport and Oxygen Production in the Modified Briggs−Rauscher Reaction with Acetone

Szabo, Erik, Ševčík, Peter

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 2.15 MB

english, 2010

27

Self-Initiation Mechanism in Spontaneous Thermal Polymerization of Ethyl and n-Butyl Acrylate: A Theoretical Study

Srinivasan, Sriraj, Lee, Myung Won, Grady, Michael C., Soroush, Masoud, Rappe, Andrew M.

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 2.55 MB

english, 2010

28

Correction: Vibrational Autodetachment−Intramolecular Vibrational Relaxation Translated Into Electronic Motion

Adams, C. L., Schneider, H., Weber, J. M.

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 47 KB

english, 2010

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