Volume 112; Issue 48

Journal of Physical Chemistry A

Volume 112; Issue 48

1

Complexation of Lead(II) by Chlorogenic Acid: Experimental and Theoretical Study

Cornard, Jean-Paul, Lapouge, Christine, Dangleterre, Laetitia, Allet-Bodelot, Cyrille

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 1.52 MB

english, 2008

2

Vibrationally Induced Proton Transfer in F − (H 2 O) and F − (D 2 O)

Horvath, Samantha, McCoy, Anne B., Roscioli, Joseph R., Johnson, Mark A.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 1.31 MB

english, 2008

3

Formation and Evolution of Metastable bcc Phase during Solidification of Liquid Ag: A Molecular Dynamics Simulation Study

Tian, Ze-An, Liu, Rang-Su, Zheng, Cai-Xing, Liu, Hai-Rong, Hou, Zhao-Yang, Peng, Ping

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 3.26 MB

english, 2008

4

Density Functional Theory Study of CsC n − ( n = 1−10) Clusters

Qi, J. Y., Dang, L., Chen, M. D., Wu, W., Zhang, Q. E., Au, C. T.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 365 KB

english, 2008

5

Experimental and Theoretical Study of the Carbon-13 and Deuterium Kinetic Isotope Effects in the Cl and OH Reactions of CH 3 F

Marinkovic, Marina, Gruber-Stadler, Margret, Nicovich, J. Michael, Soller, Raenell, Mülhäuser, Max, Wine, Paul H., Bache-Andreassen, Lihn, Nielsen, Claus J.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 497 KB

english, 2008

6

Time Evolution of the Activation Energy in a Batch Chemical Oscillator

Nogueira, Paulo A., Oliveira, Hyrla C. L., Varela, Hamilton

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 393 KB

english, 2008

7

Vibronically Resolved Electronic Circular Dichroism Spectra of ( R )-(+)-3-Methylcyclopentanone: A Theoretical Study

Lin, Na, Santoro, Fabrizio, Zhao, Xian, Rizzo, Antonio, Barone, Vincenzo

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 1.54 MB

english, 2008

8

Tautomerism of Uracil Probed via Infrared Spectroscopy of Singly Hydrated Protonated Uracil

Bakker, Joost M., Sinha, Rajeev K., Besson, Thierry, Brugnara, Maurizio, Tosi, Paolo, Salpin, Jean-Yves, Maître, Philippe

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 1024 KB

english, 2008

9

Structure and Electric Properties of Sn N Clusters ( N = 6−20) from Combined Electric Deflection Experiments and Quantum Theoretical Studies

Schäfer, Sascha, Assadollahzadeh, Behnam, Mehring, Max, Schwerdtfeger, Peter, Schäfer, Rolf

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 833 KB

english, 2008

10

Performance of Block Correlated Coupled Cluster Method with the CASSCF Reference Function for the Prediction of Activation Barriers, Spectroscopic Constants in Diatomic Molecules, and Singlet−Triplet Gaps in Diradicals

Shen, Jun, Fang, Tao, Li, Shuhua, Jiang, Yuansheng

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 387 KB

english, 2008

11

Determination of the Dihedral Angle of the Monoanion of Succinic Acid in Aprotic Media

Smith, Albert A., Drake, Michael D., Rahim, Andreas K., Roberts, John D.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 472 KB

english, 2008

12

Microsolvation of Protonated Methane: Structures and Energetics of CH 5+ (H 2 ) n

Witt, Alexander, Ivanov, Sergei D., Forbert, Harald, Marx, Dominik

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 876 KB

english, 2008

13

First-Principles Study of Electronic and Magnetic Properties of Co n Mn m and Co n V m ( m + n ≤ 6) Clusters

Wu, Pan, Yuan, Lan-Feng, Yang, Jinlong

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 1.61 MB

english, 2008

14

Coordination Properties of Lysine Interacting with Co(I) and Co(II). A Theoretical and Mass Spectrometry Study

Constantino, E., Tortajada, J., Sodupe, M., Rodríguez-Santiago, L.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 1.28 MB

english, 2008

15

One-Electron Metal−Metal Bond Stabilized in Dinuclear Metallocenes: Theoretical Prediction of DBe-LiCp (D = C 5 H 5 or C 5 Me 5 )

He, Ning, Xie, Hong-bin, Ding, Yi-hong

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 882 KB

english, 2008

16

Reactivity of Superoxide Radical Anion and Hydroperoxyl Radical with α-Phenyl- N - tert -butylnitrone (PBN) Derivatives

Durand, Grégory, Choteau, Fanny, Pucci, Bernard, Villamena, Frederick A.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 240 KB

english, 2008

17

An Ab Initio Study of Substituent Effects on the Excited States of Purine Derivatives

Mburu, Elizabeth, Matsika, Spiridoula

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 517 KB

english, 2008

18

Ultraviolet Photolysis of HCHO: Absolute HCO Quantum Yields by Direct Detection of the HCO Radical Photoproduct

Carbajo, Paula Gorrotxategi, Smith, Shona C., Holloway, Anne-Louise, Smith, Carina A., Pope, Francis D., Shallcross, Dudley E., Orr-Ewing, Andrew J.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 296 KB

english, 2008

19

Infrared Spectrum of the CH 3 −PtH Complex in Solid Argon Prepared in the Oxidative C−H Insertion of Methane by Laser-Ablated Pt Atoms

Cho, Han-Gook, Andrews, Lester

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 142 KB

english, 2008

20

Computational Study of the Reaction of CH 2 (X 3 B 1 ) with CH 3 OH

Li, Jicun, Song, Xinli, Peng, Zhe, Hou, Hua, Wang, Baoshan

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 599 KB

english, 2008

21

Synthesis, Molecular Structure, and EPR Analysis of the Three-Coordinate Ni(I) Complex [Ni(PPh 3 ) 3 ][BF 4 ]

Saraev, V. V., Kraikivskii, P. B., Svoboda, I., Kuzakov, A. S., Jordan, R. F.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 369 KB

english, 2008

22

Resonant Vibrational Excitation and De-Excitation of CO( v ) by Low Energy Electrons

Poparić, G. B., Ristić, M., Belić, D. S.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 229 KB

english, 2008

23

Conical for Stepwise, Glancing for Concerted: The Role of the Excited-State Topology in the Three-Body Dissociation of sym -Triazine

Mozhayskiy, Vadim A., Savee, John D., Mann, Jennifer E., Continetti, Robert E., Krylov, Anna I.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 814 KB

english, 2008

24

Ion Partitioning at the Liquid/Vapor Interface of a Multicomponent Alkali Halide Solution: A Model for Aqueous Sea Salt Aerosols

Ghosal, Sutapa, Brown, Matthew A., Bluhm, Hendrik, Krisch, Maria J., Salmeron, Miquel, Jungwirth, Pavel, Hemminger, John C.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 1.07 MB

english, 2008

25

Ab Initio Studies of Properties of Small Potassium Clusters

Banerjee, Arup, Ghanty, Tapan K., Chakrabarti, Aparna

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 168 KB

english, 2008

26

Reactions of Hydrated Electrons with Pyridinium Salts in Aqueous Solutions

Enomoto, Kazuyuki, LaVerne, Jay A.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 187 KB

english, 2008

27

On the Importance of Electron Correlation Effects for the Intramolecular Stacking Geometry of a Bis-Thiophene Derivative

Pluháčková, Kristýna, Grimme, Stefan, Hobza, Pavel

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 383 KB

english, 2008

28

Multiple Transmission−Reflection Infrared Spectroscopy for High-Sensitivity Measurement of Molecular Monolayers on Silicon Surfaces

Liu, Hong-Bo, Venkataraman, Nagaiyanallur V., Bauert, Tobias E., Textor, Marcus, Xiao, Shou-Jun

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 323 KB

english, 2008

29

Photodissociation of Noble Metal-Doped Carbon Clusters

Ticknor, B. W., Bandyopadhyay, B., Duncan, M. A.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 516 KB

english, 2008

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