August 4, 2011 Volume 115, Issue 30 Pages 8327-8588
August 4, 2011 Volume 115, Issue 30 Pages 8327-8588
August 4, 2011 Volume 115, Issue 30 Pages 8327-8588
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<strong>August</strong> 4, <strong>2011</strong><br />
<strong>Volume</strong> <strong>115</strong>, <strong>Issue</strong> <strong>30</strong><br />
<strong>Pages</strong> <strong>8327</strong>-<strong>8588</strong><br />
1. Three-Stage Transformation Pathway from Nanodiamonds to Fullerenes<br />
Anastassia Sorkin, Bengkang Tay, Haibin Su<br />
The Journal of Physical Chemistry A <strong>2011</strong> <strong>115</strong> (<strong>30</strong>), <strong>8327</strong>-8334<br />
2. Femtosecond Excited-State Dynamics of 4-Nitrophenyl Pyrrolidinemethanol: Evidence of<br />
Twisted Intramolecular Charge Transfer and Intersystem Crossing Involving the Nitro<br />
Group<br />
Shahnawaz Rafiq, Rajeev Yadav, Pratik Sen<br />
The Journal of Physical Chemistry A <strong>2011</strong> <strong>115</strong> (<strong>30</strong>), 8335-8343<br />
3. Anti-Kasha’s Rule Fluorescence Emission in (2-Ferrocenyl)indene Generated by a<br />
Twisted Intramolecular Charge-Transfer (TICT) Process<br />
Stefano Scuppa, Laura Orian, Alessandro Donoli, Saverio Santi, Moreno Meneghetti<br />
The Journal of Physical Chemistry A <strong>2011</strong> <strong>115</strong> (<strong>30</strong>), 8344-8349<br />
4. Ab Initio Study of the Adsorption of NO on the Rh6+ Cluster<br />
M. B. Torres, F. Aguilera-Granja, L. C. Balb s, A. Vega<br />
The Journal of Physical Chemistry A <strong>2011</strong> <strong>115</strong> (<strong>30</strong>), 8350-8360<br />
5. Highly Twisted Triarylamines for Photoinduced Intramolecular Charge Transfer<br />
J. Matthew Chudomel, Boqian Yang, Michael D. Barnes, Marc Achermann, Joel T. Mague, Paul<br />
M. Lahti<br />
The Journal of Physical Chemistry A <strong>2011</strong> <strong>115</strong> (<strong>30</strong>), 8361-8368<br />
6. Excited States in Electron-Transfer Reaction Products: Ultrafast Relaxation Dynamics of<br />
an Isolated Acceptor Radical Anion<br />
Daniel A. Horke, Gareth M. Roberts, Jan R. R. Verlet<br />
The Journal of Physical Chemistry A <strong>2011</strong> <strong>115</strong> (<strong>30</strong>), 8369-8374<br />
7. Dissociation of H2NCH Dication in a Strong Laser Field<br />
Jia Zhou, H. Bernhard Schlegel<br />
The Journal of Physical Chemistry A <strong>2011</strong> <strong>115</strong> (<strong>30</strong>), 8375-8379<br />
8. Solvation Structure and Stability of [(CH3)2NH]m(NH3)n–H Hypervalent Clusters:<br />
Ionization Potentials and Switching of Hydrogen-Atom Localized Site<br />
Yuji Yamada, Haruki Ishikawa, Kiyokazu Fuke<br />
The Journal of Physical Chemistry A <strong>2011</strong> <strong>115</strong> (<strong>30</strong>), 8380-8391<br />
9. Characterization of the Singlet and Triplet Excited States of 3-Chloro-4-<br />
methylumbelliferone<br />
J. S rgio Seixas de Melo, Catarina Cabral, Jo o C. Lima, Ant nio L. Ma anita<br />
The Journal of Physical Chemistry A <strong>2011</strong> <strong>115</strong> (<strong>30</strong>), 8392-8398<br />
10. Excited Electronic States, Transition Probabilities, and Radiative Lifetimes of CAs: A<br />
Theoretical Contribution and Challenge to Experimentalists<br />
Ana Paula de Lima Batista, Antonio Gustavo Sampaio de Oliveira-Filho, Fernando R. Ornellas<br />
The Journal of Physical Chemistry A <strong>2011</strong> <strong>115</strong> (<strong>30</strong>), 8399-8405<br />
11. Disentangling Intrinsic Ultrafast Excited-State Dynamics of Cytosine Tautomers<br />
Jr-Wei Ho, Hung-Chien Yen, Wei-Kuang Chou, Chih-Nan Weng, Li-Hao Cheng, Hui-Qi Shi, Szu-<br />
Hsueh Lai, Po-Yuan Cheng
The Journal of Physical Chemistry A <strong>2011</strong> <strong>115</strong> (<strong>30</strong>), 8406-8418<br />
12. Strain Effects in Electron Spin Resonance Spectroscopy of Quintet 2,6-Bis(4′-<br />
nitrenophenyl)-4-phenylpyridine<br />
Sergei V. Chapyshev, Denis V. Korchagin, Mikhail F. Budyka, Tatiana N. Gavrishova, Patrik<br />
Neuhaus, Wolfram Sander<br />
The Journal of Physical Chemistry A <strong>2011</strong> <strong>115</strong> (<strong>30</strong>), 8419-8425<br />
13. Use of a Generalized Fisher Equation for Global Optimization in Chemical Kinetics<br />
Alejandro F. Villaverde, John Ross, Federico Mor n, Eva Balsa-Canto, Julio R. Banga<br />
The Journal of Physical Chemistry A <strong>2011</strong> <strong>115</strong> (<strong>30</strong>), 8426-8436<br />
14. Side Chain Variations on a Series of Dicyanovinyl-Terthiophenes: A Photoinduced<br />
Absorption Study<br />
Hannah Ziehlke, Roland Fitzner, Christian Koerner, Roland Gresser, Egon Reinold, Peter B<br />
uerle, Karl Leo, Moritz K. Riede<br />
The Journal of Physical Chemistry A <strong>2011</strong> <strong>115</strong> (<strong>30</strong>), 8437-8446<br />
15. Thermal Decomposition of Methyl 2-Azidopropionate Studied by UV Photoelectron<br />
Spectroscopy and Matrix Isolation IR Spectroscopy: Heterocyclic Intermediate vs Imine<br />
Formation<br />
R. M. Pinto, A. A. Dias, M. L. Costa, P. Rodrigues, M. T. Barros, J. S. Ogden, J. M. Dyke<br />
The Journal of Physical Chemistry A <strong>2011</strong> <strong>115</strong> (<strong>30</strong>), 8447-8457<br />
16. High-Resolution Fourier Transform Infrared Absorption Spectroscopy of the ν6 Band of c-<br />
C3H2<br />
Pradeep R. Varadwaj, Ryuji Fujimori, Kentarou Kawaguchi<br />
The Journal of Physical Chemistry A <strong>2011</strong> <strong>115</strong> (<strong>30</strong>), 8458-8463<br />
17. Conformation-Specific Spectroscopy and Populations of Diastereomers of a Model<br />
Monolignol Derivative: Chiral Effects in a Triol Chain<br />
Jacob C. Dean, Evan G. Buchanan, William H. James III, Anna Gutberlet, Bidyut Biswas, P.<br />
Veeraraghavan Ramachandran, Timothy S. Zwier<br />
The Journal of Physical Chemistry A <strong>2011</strong> <strong>115</strong> (<strong>30</strong>), 8464-8478<br />
18. Modeling the Nonradiative Decay Rate of Electronically Excited Thioflavin T<br />
Yuval Erez, Yu-Hui Liu, Nadav Amdursky, Dan Huppert<br />
The Journal of Physical Chemistry A <strong>2011</strong> <strong>115</strong> (<strong>30</strong>), 8479-8487<br />
19. Chirped Pulse Fourier Transform Microwave Study of 2,2,2-Trifluoroethyl Formate<br />
Luca Evangelisti, Adam Grabowiecki, Jennifer van Wijngaarden<br />
The Journal of Physical Chemistry A <strong>2011</strong> <strong>115</strong> (<strong>30</strong>), 8488-8492<br />
20. Solvation Structures of Iodide on and below a Surface of Aqueous Solution Studied by<br />
Photodetachment Spectroscopy<br />
Yojiro Hiranuma, Keisuke Kaniwa, Makoto Shoji, Fumitaka Mafun<br />
The Journal of Physical Chemistry A <strong>2011</strong> <strong>115</strong> (<strong>30</strong>), 8493-8497<br />
21. Spin Polarized Metastable Helium De-excitation Processes on Metal Surfaces<br />
S. Achilli, G. P. Brivio, G. Fratesi, M. I. Trioni<br />
The Journal of Physical Chemistry A <strong>2011</strong> <strong>115</strong> (<strong>30</strong>), 8498-8503<br />
22. Theoretical Study on Reaction Scheme of Silver(I) Containing 5-Substituted Uracils<br />
Bridge Formation<br />
Toru Matsui, Hideaki Miyachi, Takeshi Baba, Yasuteru Shigeta<br />
The Journal of Physical Chemistry A <strong>2011</strong> <strong>115</strong> (<strong>30</strong>), 8504-8510<br />
23. Carotenoids and β-Cyclodextrin Inclusion Complexes: Raman Spectroscopy and<br />
Theoretical Investigation
Vanessa E. de Oliveira, Eduardo W. C. Almeida, Harlem V. Castro, Howell G. M. Edwards, H<br />
lio F. Dos Santos, Luiz Fernando C. de Oliveira<br />
The Journal of Physical Chemistry A <strong>2011</strong> <strong>115</strong> (<strong>30</strong>), 8511-8519<br />
24. Theoretical Study of Pt(PR3)2(AlCl3) (R = H, Me, Ph, or Cy) Including an Unsupported<br />
Bond between Transition Metal and Non-transition Metal Elements: Geometry, Bond<br />
Strength, and Prediction<br />
Shinya Tsukamoto, Shigeyoshi Sakaki<br />
The Journal of Physical Chemistry A <strong>2011</strong> <strong>115</strong> (<strong>30</strong>), 8520-8527<br />
25. Ruling Out Any Electrophilicity Equalization Principle<br />
L szl von Szentp ly<br />
The Journal of Physical Chemistry A <strong>2011</strong> <strong>115</strong> (<strong>30</strong>), 8528-8531<br />
26. Simulant Molecules with Trivalent or Pentavalent Phosphorus Atoms: Bond Dissociation<br />
Energies and Other Thermodynamic and Structural Properties from Quantum Chemical<br />
Models<br />
David K. Hahn, Krishans S. RaghuVeer, J. V. Ortiz<br />
The Journal of Physical Chemistry A <strong>2011</strong> <strong>115</strong> (<strong>30</strong>), 8532-8539<br />
27. X-ray Crystallographic, FT-IR, and Density Functional Theory Studies of the Salt Formed<br />
between Dipicrylamine and 1,5,7-Triazabicyclo[4.4.0]dec-1-ene<br />
Adam Huczy ski, Jan Janczak, Marcin Hoffmann, Bogumil Brzezinski<br />
The Journal of Physical Chemistry A <strong>2011</strong> <strong>115</strong> (<strong>30</strong>), 8540-8549<br />
28. Intra- and Intermolecular Interactions in the Crystals of 3,4-Diamino-1,2,4-triazole and Its<br />
5-Methyl Derivative. Experimental and Theoretical Investigations of Charge Density<br />
Distribution<br />
Irina S. Konovalova, Yuliya V. Nelyubina, Konstantin A. Lyssenko, Boris V. Paponov, Oleg V.<br />
Shishkin<br />
The Journal of Physical Chemistry A <strong>2011</strong> <strong>115</strong> (<strong>30</strong>), 8550-8562<br />
29. On the Origin of the Solid-State Thermochromism and Thermal Fatigue of Polycyclic<br />
Overcrowded Enes<br />
Pan e Naumov, Nobuo Ishizawa, Jun Wang, Ljup o Pejov, Martin Pumera, Sang Cheol Lee<br />
The Journal of Physical Chemistry A <strong>2011</strong> <strong>115</strong> (<strong>30</strong>), 8563-8570<br />
<strong>30</strong>. Analysis of the Effects of N-Substituents on Some Aspects of the Aromaticity of<br />
Imidazoles and Pyrazoles<br />
Carles Curutchet, Jordi Poater, Miquel Sol , Jos Elguero<br />
The Journal of Physical Chemistry A <strong>2011</strong> <strong>115</strong> (<strong>30</strong>), 8571-8577<br />
31. Structure and Bonding Analysis of Dimethylgallyl Complexes of Iron, Ruthenium, and<br />
Osmium [(η5-C5H5)(CO)2M(GaMe2)] and [(η5-C5H5)(Me3P)2M(GaMe2)]<br />
Krishna K. Pandey<br />
The Journal of Physical Chemistry A <strong>2011</strong> <strong>115</strong> (<strong>30</strong>), 8578-8585<br />
32. Correction to “Influence of Hybridization and Cooperativity on the Properties of Au-<br />
Bonding Interaction: Comparison with Hydrogen Bonds”<br />
Qingzhong Li, Hui Li, Ran Li, Bo Jing, Zhenbo Liu, Wenzuo Li, Feng Luan, Jianbo Cheng, Baoan<br />
Gong, Jiazhong Sun<br />
The Journal of Physical Chemistry A <strong>2011</strong> <strong>115</strong> (<strong>30</strong>), 8586-8587<br />
33. Correction to “Vibrational Autodetachment–Intramolecular Vibrational Relaxation<br />
Translated Into Electronic Motion”<br />
C. L. Adams, H. Schneider, J. M. Weber<br />
The Journal of Physical Chemistry A <strong>2011</strong> <strong>115</strong> (<strong>30</strong>), <strong>8588</strong>-<strong>8588</strong>
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