Volume 118; Issue 32

Journal of Physical Chemistry A

Volume 118; Issue 32

1

Toward a More Complete Understanding of Noncovalent Interactions Involving Aromatic Rings

Wheeler, Steven E., Bloom, Jacob W. G.

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 2.08 MB

english, 2014

2

Grid-Based Empirical Improvement of Molecular Potential Energy Surfaces

Szidarovszky, Tamás, Császár, Attila G.

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 2.82 MB

english, 2014

3

Temperature Effects on the Scattering of Polarons and Bipolarons in Organic Conductors

Ribeiro Junior, Luiz Antonio, da Cunha, Wiliam Ferreira, e Silva, Geraldo Magela

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 3.27 MB

english, 2014

4

Interaction between Formaldehyde and Luminescent MOF [Zn(NH 2 bdc)(bix)] n in the Electronic Excited State

Yao, Yuhang, Song, Xuedan, Qiu, Jieshan, Hao, Ce

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 330 KB

english, 2014

5

A Unified Perspective on the Nature of Bonding in Pairwise Interatomic Interactions

Lucchese, R. R., Rosales, C. K., Rivera-Rivera, L. A., McElmurry, B. A., Bevan, J. W., Walton, J. R.

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 1.07 MB

english, 2014

6

Monte Carlo–Quantum Mechanics Study of Magnetic Properties of Hydrogen Peroxide in Liquid Water

Caputo, María Cristina, Provasi, Patricio F., Benitez, Lucía, Georg, Herbert C., Canuto, Sylvio, Coutinho, Kaline

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 1.67 MB

english, 2014

7

O -Ylide and π-Complex Formation in Reactions of a Carbene with Dibenzo and Monobenzo Crown Ethers

Hoijemberg, Pablo A., Moss, Robert A., Feinblum, David V., Krogh-Jespersen, Karsten

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 2.85 MB

english, 2014

8

A Possible Candidate to Be Classified as an Autocatalysis-Driven Clock Reaction: Kinetics of the Pentathionate–Iodate Reaction

Xu, Li, Horváth, Attila K.

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 1.94 MB

english, 2014

9

Reaction Dynamics of the 4-Methylphenyl Radical ( p -Tolyl) with 1,2-Butadiene (1-Methylallene): Are Methyl Groups Purely Spectators?

Kaiser, Ralf I., Dangi, Beni B., Yang, Tao, Parker, Dorian S. N., Mebel, Alexander M.

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 1.92 MB

english, 2014

10

Aggregation Effect on the Luminescence Properties of Phenylbipyridine Pt(II) Acetylide Complexes. A Theoretical Prediction with Experimental Evidence

Amar, Anissa, Meghezzi, Hacène, Boixel, Julien, Le Bozec, Hubert, Guerchais, Véronique, Jacquemin, Denis, Boucekkine, Abdou

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 1.83 MB

english, 2014

11

Nucleophilic or Electrophilic Interactions of C 2 with HX Systems (X = F, Cl, Br)

Khiri, D., Gritli, H., Chambaud, G.

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 1.70 MB

english, 2014

12

EPR Line Shifts and Line Shape Changes Due to Heisenberg Spin Exchange and Dipole–Dipole Interactions of Nitroxide Free Radicals in Liquids: 9. An Alternative Method to Separate the Effects of the Two Interactions Employing 15 N and 14 N

Bales, Barney L., Meyer, Michelle, Peric, Miroslav

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 635 KB

english, 2014

13

Chemistry and Photochemistry of 2,6-Bis(2-hydroxybenzilidene)cyclohexanone. An Example of a Compound Following the Anthocyanins Network of Chemical Reactions

Moro, Artur J., Pana, Ana-Maria, Cseh, Liliana, Costisor, Otilia, Parola, Jorge, Cunha-Silva, L., Puttreddy, Rakesh, Rissanen, Kari, Pina, Fernando

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 563 KB

english, 2014

14

Endocyclic Oxygen in 3-Fluorodihydro-2 H -pyran-4(3 H )-one That Does Not Induce the Gauche Effect

Silva, Thayná F. B., Andrade, Laize A. F., Silla, Josué M., Duarte, Claudimar J., Rittner, Roberto, Freitas, Matheus P.

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 1.14 MB

english, 2014

15

Details of the Excited-State Potential Energy Surfaces of Adenine by Coupled Cluster Techniques

Benda, Zsuzsanna, Szalay, Péter G.

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 2.12 MB

english, 2014

16

Photophysics of Bis-bipyridyl Nitro Complexes of Ruthenium(II) with Pyridine Ligands: Substituent Effects

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

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 672 KB

english, 2014

17

Ultrafast Shock Compression of an Oxygen-Balanced Mixture of Nitromethane and Hydrogen Peroxide

Armstrong, Michael R., Zaug, Joseph M., Grant, Christian D., Crowhurst, Jonathan C., Bastea, Sorin

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 1.25 MB

english, 2014

18

Photocatalytic Oxygenation of 10-Methyl-9,10-dihydroacridine by O 2 with Manganese Porphyrins

Jung, Jieun, Ohkubo, Kei, Goldberg, David P., Fukuzumi, Shunichi

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 416 KB

english, 2014

19

Kinetics and Mechanism of the Tropospheric Reaction of 3-Hydroxy-3-methyl-2-butanone with Cl Atoms

Sleiman, C., El Dib, G., Ballesteros, B., Moreno, A., Albaladejo, J., Canosa, A., Chakir, A.

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 559 KB

english, 2014