Volume 115; Issue 30

Journal of Physical Chemistry A

Volume 115; Issue 30

1

Characterization of the Singlet and Triplet Excited States of 3-Chloro-4-methylumbelliferone

Seixas de Melo, J. Sérgio, Cabral, Catarina, Lima, João C., Maçanita, António L.

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 1.43 MB

english, 2011

2

Ruling Out Any Electrophilicity Equalization Principle

von Szentpály, László

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 811 KB

english, 2011

3

Strain Effects in Electron Spin Resonance Spectroscopy of Quintet 2,6-Bis(4′-nitrenophenyl)-4-phenylpyridine

Chapyshev, Sergei V., Korchagin, Denis V., Budyka, Mikhail F., Gavrishova, Tatiana N., Neuhaus, Patrik, Sander, Wolfram

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 1.16 MB

english, 2011

4

Three-Stage Transformation Pathway from Nanodiamonds to Fullerenes

Sorkin, Anastassia, Tay, Bengkang, Su, Haibin

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 2.80 MB

english, 2011

5

Analysis of the Effects of N -Substituents on Some Aspects of the Aromaticity of Imidazoles and Pyrazoles

Curutchet, Carles, Poater, Jordi, Solà, Miquel, Elguero, José

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 1.73 MB

english, 2011

6

Carotenoids and β-Cyclodextrin Inclusion Complexes: Raman Spectroscopy and Theoretical Investigation

de Oliveira, Vanessa E., Almeida, Eduardo W. C., Castro, Harlem V., Edwards, Howell G. M., Dos Santos, Hélio F., de Oliveira, Luiz Fernando C.

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 3.16 MB

english, 2011

7

Conformation-Specific Spectroscopy and Populations of Diastereomers of a Model Monolignol Derivative: Chiral Effects in a Triol Chain

Dean, Jacob C., Buchanan, Evan G., James, William H., Gutberlet, Anna, Biswas, Bidyut, Ramachandran, P. Veeraraghavan, Zwier, Timothy S.

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 4.54 MB

english, 2011

8

Side Chain Variations on a Series of Dicyanovinyl-Terthiophenes: A Photoinduced Absorption Study

Ziehlke, Hannah, Fitzner, Roland, Koerner, Christian, Gresser, Roland, Reinold, Egon, Bäuerle, Peter, Leo, Karl, Riede, Moritz K.

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 5.47 MB

english, 2011

9

Anti-Kasha’s Rule Fluorescence Emission in (2-Ferrocenyl)indene Generated by a Twisted Intramolecular Charge-Transfer (TICT) Process

Scuppa, Stefano, Orian, Laura, Donoli, Alessandro, Santi, Saverio, Meneghetti, Moreno

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 836 KB

english, 2011

10

X-ray Crystallographic, FT-IR, and Density Functional Theory Studies of the Salt Formed between Dipicrylamine and 1,5,7-Triazabicyclo[4.4.0]dec-1-ene

Huczyński, Adam, Janczak, Jan, Hoffmann, Marcin, Brzezinski, Bogumil

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 4.60 MB

english, 2011

11

Intra- and Intermolecular Interactions in the Crystals of 3,4-Diamino-1,2,4-triazole and Its 5-Methyl Derivative. Experimental and Theoretical Investigations of Charge Density Distribution

Konovalova, Irina S., Nelyubina, Yuliya V., Lyssenko, Konstantin A., Paponov, Boris V., Shishkin, Oleg V.

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 2.88 MB

english, 2011

12

Excited Electronic States, Transition Probabilities, and Radiative Lifetimes of CAs: A Theoretical Contribution and Challenge to Experimentalists

de Lima Batista, Ana Paula, Sampaio de Oliveira-Filho, Antonio Gustavo, Ornellas, Fernando R.

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 1.39 MB

english, 2011

13

Simulant Molecules with Trivalent or Pentavalent Phosphorus Atoms: Bond Dissociation Energies and Other Thermodynamic and Structural Properties from Quantum Chemical Models

Hahn, David K., RaghuVeer, Krishans S., Ortiz, J. V.

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 1016 KB

english, 2011

14

Excited States in Electron-Transfer Reaction Products: Ultrafast Relaxation Dynamics of an Isolated Acceptor Radical Anion

Horke, Daniel A., Roberts, Gareth M., Verlet, Jan R. R.

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 1.61 MB

english, 2011

15

Ab Initio Study of the Adsorption of NO on the Rh 6+ Cluster

Torres, M. B., Aguilera-Granja, F., Balbás, L. C., Vega, A.

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 4.19 MB

english, 2011

16

Solvation Structure and Stability of [(CH 3 ) 2 NH] m (NH 3 ) n –H Hypervalent Clusters: Ionization Potentials and Switching of Hydrogen-Atom Localized Site

Yamada, Yuji, Ishikawa, Haruki, Fuke, Kiyokazu

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 4.57 MB

english, 2011

17

High-Resolution Fourier Transform Infrared Absorption Spectroscopy of the ν 6 Band of c-C 3 H 2

Varadwaj, Pradeep R., Fujimori, Ryuji, Kawaguchi, Kentarou

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 1.09 MB

english, 2011

18

Use of a Generalized Fisher Equation for Global Optimization in Chemical Kinetics

Villaverde, Alejandro F., Ross, John, Morán, Federico, Balsa-Canto, Eva, Banga, Julio R.

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 1.96 MB

english, 2011

19

Correction to “Influence of Hybridization and Cooperativity on the Properties of Au-Bonding Interaction: Comparison with Hydrogen Bonds”

Li, Qingzhong, Li, Hui, Li, Ran, Jing, Bo, Liu, Zhenbo, Li, Wenzuo, Luan, Feng, Cheng, Jianbo, Gong, Baoan, Sun, Jiazhong

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 625 KB

english, 2011

20

Thermal Decomposition of Methyl 2-Azidopropionate Studied by UV Photoelectron Spectroscopy and Matrix Isolation IR Spectroscopy: Heterocyclic Intermediate vs Imine Formation

Pinto, R. M., Dias, A. A., Costa, M. L., Rodrigues, P., Barros, M. T., Ogden, J. S., Dyke, J. M.

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 3.87 MB

english, 2011

21

Femtosecond Excited-State Dynamics of 4-Nitrophenyl Pyrrolidinemethanol: Evidence of Twisted Intramolecular Charge Transfer and Intersystem Crossing Involving the Nitro Group

Rafiq, Shahnawaz, Yadav, Rajeev, Sen, Pratik

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 3.96 MB

english, 2011

22

Dissociation of H 2 NCH Dication in a Strong Laser Field

Zhou, Jia, Schlegel, H. Bernhard

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 1.22 MB

english, 2011

23

Highly Twisted Triarylamines for Photoinduced Intramolecular Charge Transfer

Chudomel, J. Matthew, Yang, Boqian, Barnes, Michael D., Achermann, Marc, Mague, Joel T., Lahti, Paul M.

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 2.50 MB

english, 2011

24

Modeling the Nonradiative Decay Rate of Electronically Excited Thioflavin T

Erez, Yuval, Liu, Yu-Hui, Amdursky, Nadav, Huppert, Dan

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 2.35 MB

english, 2011

25

Spin Polarized Metastable Helium De-excitation Processes on Metal Surfaces

Achilli, S., Brivio, G. P., Fratesi, G., Trioni, M. I.

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 2.40 MB

english, 2011

26

On the Origin of the Solid-State Thermochromism and Thermal Fatigue of Polycyclic Overcrowded Enes

Naumov, Panče, Ishizawa, Nobuo, Wang, Jun, Pejov, Ljupčo, Pumera, Martin, Lee, Sang Cheol

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 4.91 MB

english, 2011

27

Solvation Structures of Iodide on and below a Surface of Aqueous Solution Studied by Photodetachment Spectroscopy

Hiranuma, Yojiro, Kaniwa, Keisuke, Shoji, Makoto, Mafuné, Fumitaka

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 833 KB

english, 2011

28

Disentangling Intrinsic Ultrafast Excited-State Dynamics of Cytosine Tautomers

Ho, Jr-Wei, Yen, Hung-Chien, Chou, Wei-Kuang, Weng, Chih-Nan, Cheng, Li-Hao, Shi, Hui-Qi, Lai, Szu-Hsueh, Cheng, Po-Yuan

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 4.28 MB

english, 2011

29

Theoretical Study on Reaction Scheme of Silver(I) Containing 5-Substituted Uracils Bridge Formation

Matsui, Toru, Miyachi, Hideaki, Baba, Takeshi, Shigeta, Yasuteru

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 2.40 MB

english, 2011

30

Structure and Bonding Analysis of Dimethylgallyl Complexes of Iron, Ruthenium, and Osmium [(η 5 -C 5 H 5 )(CO) 2 M(GaMe 2 )] and [(η 5 -C 5 H 5 )(Me 3 P) 2 M(GaMe 2 )]

Pandey, Krishna K.

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 4.33 MB

english, 2011

31

Correction to “Vibrational Autodetachment–Intramolecular Vibrational Relaxation Translated Into Electronic Motion”

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

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 741 KB

english, 2011

32

Theoretical Study of Pt(PR 3 ) 2 (AlCl 3 ) (R = H, Me, Ph, or Cy) Including an Unsupported Bond between Transition Metal and Non-transition Metal Elements: Geometry, Bond Strength, and Prediction

Tsukamoto, Shinya, Sakaki, Shigeyoshi

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 2.84 MB

english, 2011

33

Chirped Pulse Fourier Transform Microwave Study of 2,2,2-Trifluoroethyl Formate

Evangelisti, Luca, Grabowiecki, Adam, van Wijngaarden, Jennifer

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 2.92 MB

english, 2011

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