Volume 111; Issue 28

Journal of Physical Chemistry A

Volume 111; Issue 28

1

Interaction of NO2 with Hydrocarbon Soot: Focus on HONO Yield, Surface Modification, and Mechanism

Aubin, Daniel G., Abbatt, Jonathan P. D.

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 148 KB

english, 2007

2

A Computational Investigation of the Geometrical Structure and Protodeboronation of Boroglycine, H2N−CH2−B(OH)2

Larkin, Joseph D., Bhat, Krishna L., Markham, George D., Brooks, Bernard R., Lai, Jack H., Bock, Charles W.

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 257 KB

english, 2007

3

Imino Tautomers of Gas-Phase Guanine from Mid-Infrared Laser Spectroscopy

Seefeld, Kai, Brause, Robert, Häber, Thomas, Kleinermanns, Karl

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 168 KB

english, 2007

4

A Combined Experimental and Theoretical Study of Uranium Polyhydrides with New Evidence for the Large Complex UH 4 (H 2 ) 6

Raab, Juraj, Lindh, Roland H., Wang, Xuefeng, Andrews, Lester, Gagliardi, Laura

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 161 KB

english, 2007

5

Structure and Stability of Small Boron and Boron Oxide Clusters

Drummond, Michael L., Meunier, Vincent, Sumpter, Bobby G.

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 324 KB

english, 2007

6

Excited State Intramolecular Proton Transfer in Schiff Bases. Decay of the Locally Excited Enol State Observed by Femtosecond Resolved Fluorescence

Rodríguez-Córdoba, William, Zugazagoitia, Jimena S., Collado-Fregoso, Elisa, Peon, Jorge

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 169 KB

english, 2007

7

Interaction of Different Metal Ions with Carboxylic Acid Group: A Quantitative Study

Bala, Tanushree, Prasad, B. L. V., Sastry, Murali, Kahaly, Mousumi Upadhyay, Waghmare, Umesh V.

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 240 KB

english, 2007

8

The Nature of Ionic Liquids in the Gas Phase

Leal, João P., Esperança, José M. S. S., Minas da Piedade, Manuel E., Canongia Lopes, José N., Rebelo, Luís P. N., Seddon, Kenneth R.

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 257 KB

english, 2007

9

Molecular Structure and Conformational Composition of 1,3-Dihydroxyacetone Studied by Combined Analysis of Gas-Phase Electron Diffraction Data, Rotational Constants, and Results of Theoretical Calculations. Ideal Gas Thermodynamic Properties of 1,3-Dihydroxyacetone

Dorofeeva, Olga V., Vogt, Natalja, Vogt, Jürgen, Popik, Mikhail V., Rykov, Anatolii N., Vilkov, Lev V.

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 129 KB

english, 2007

10

Topological Properties of the Electrostatic Potential in Weak and Moderate N···H Hydrogen Bonds

Mata, Ignasi, Molins, Elies, Alkorta, Ibon, Espinosa, Enrique

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 295 KB

english, 2007

11

Properties of Aromaticity Indices Based on the One-Electron Density Matrix †

Cioslowski, Jerzy, Matito, Eduard, Solà, Miquel

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 64 KB

english, 2007

12

Photophysical Properties and Energy Transfer Pathway of Er(III) Complexes with Pt−Porphyrin and Terpyridine Ligands

Nah, Min-Kook, Oh, Jae Buem, Kim, Hwan Kyu, Choi, Kyong-Hoon, Kim, Yong-Rok, Kang, Jun-Gill

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 225 KB

english, 2007

13

Interconvertible Side-On- and End-On-Bonded Oxo−Superoxo Titanium Ozonide Complexes

Gong, Yu, Zhou, Mingfei, Tian, Shan Xi, Yang, Jinlong

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 141 KB

english, 2007

14

One and Two Hydrogen Molecules in the Large Cage of the Structure II Clathrate Hydrate: Quantum Translation−Rotation Dynamics Close to the Cage Wall

Sebastianelli, Francesco, Xu, Minzhong, Kanan, Dalal K., Bačić, Zlatko

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 438 KB

english, 2007

15

A Theoretical Study of the Structure and Thermochemical Properties of Alkali Metal Fluoroplumbates MPbF 3

Boltalin, A. I., Korenev, Yu. M., Sipachev, V. A.

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 94 KB

english, 2007

16

Intramolecular Hydrogen Bond Energy in Polyhydroxy Systems: A Critical Comparison of Molecular Tailoring and Isodesmic Approaches

Deshmukh, Milind M., Suresh, Cherumuttathu H., Gadre, Shridhar R.

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 244 KB

english, 2007

17

Theoretical Survey of the Gas-Phase Reactions of Allylamine with Co +

Ma, Yan, Guo, Wenyue, Zhao, Lianming, Hu, Songqing, Zhang, Jun, Fu, Qingtao, Chen, Xiangfeng

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 337 KB

english, 2007

18

Structures and Static Electric Properties of Novel Alkalide Anions F - Li + Li - and F - Li 3+ Li 3-

Wang, Bing-Qiang, Li, Zhi-Ru, Wu, Di, Wang, Fang-Fang

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 175 KB

english, 2007

19

Structure and Bonding in First-Row Transition Metal Dicarbide Cations MC 2+

Rayón, Víctor M., Redondo, Pilar, Barrientos, Carmen, Largo, Antonio

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 116 KB

english, 2007

20

Molecular Structure, Vinyl Rotation Barrier, and Vibrational Dynamics of 2,6-Dichlorostyrene. A Theoretical and Experimental Research

Ceacero-Vega, Antonio A., Ruiz, Tomás Peña, Gómez, Manuel Fernández, Roldán, José M. Granadino, Navarro, Amparo, Fernández-Liencres, M. Paz, Jayasooriya, Upali A.

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 346 KB

english, 2007

21

Investigation of the Influence of Solute−Solvent Interactions on the Vibrational Energy Relaxation Dynamics of Large Molecules in Liquids

Pigliucci, Anatolio, Duvanel, Guillaume, Daku, Latévi Max Lawson, Vauthey, Eric

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 420 KB

english, 2007

22

Pairwise-Substitution Effects and Intramolecular Hydrogen Bonds in Nitrophenols and Methylnitrophenols. Thermochemical Measurements and ab Initio Calculations

Heintz, A., Kapteina, S., Verevkin, S. P.

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 105 KB

english, 2007

23

Quantum-Chemical Study on the Effect of Lewis Acid Centers in a Poly(ethylene oxide)-Based Solid Electrolyte

Eilmes, Andrzej, Kubisiak, Piotr

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 1.48 MB

english, 2007

24

Computational Study on the Mechanisms and Energetics of Trimethylindium Reactions with H 2 O and H 2 S

Raghunath, P., Lin, M. C.

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 391 KB

english, 2007

25

Thermochemical Properties of Polycyclic Aromatic Hydrocarbons (PAH) from G3MP2B3 Calculations

Blanquart, Guillaume, Pitsch, Heinz

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 371 KB

english, 2007

26

Rational Design and First-Principles Studies toward the Remote Substituent Effects on a Novel Tetracyclic Proton Sponge

Singh, Ajeet, Ganguly, Bishwajit

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 270 KB

english, 2007

27

Charge-Transfer-Induced Twisting of the Nitro Group

Mondal, Jahur A., Sarkar, Moloy, Samanta, Anunay, Ghosh, Hirendra. N., Palit, Dipak K.

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 260 KB

english, 2007

28

Dynamics of Intramolecular Hydrogen-Atom Migrations in 2-Hydroxy-3-nitropyridine Studied by Low-Temperature Matrix-Isolation Infrared Spectroscopy and Density Functional Theory Calculation

Nagaya, Maki, Nakata, Munetaka

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 105 KB

english, 2007

29

SSOH and HSSO Radicals: An Experimental and Theoretical Study of [S 2 OH] 0/+/- Species

de Petris, Giulia, Rosi, Marzio, Troiani, Anna

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 166 KB

english, 2007

30

Thermochemical Properties, Δ fH °(298), S °(298), and C p °( T ), for n -Butyl and n -Pentyl Hydroperoxides and the Alkyl and Peroxy Radicals, Transition States, and Kinetics for Intramolecular Hydrogen Shift Reactions of the Peroxy Radicals

Zhu, Li, Bozzelli, Joseph W., Kardos, Lisa M.

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 5.29 MB

english, 2007

31

Theoretical Study of Cycloaddition Reactions of Heavy Carbenes with C 60

Lan, Chao-Ying, Su, Ming-Der

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 355 KB

english, 2007

32

Dynamics of Dilute Water in Carbon Tetrachloride

Goodnough, Jennifer A., Goodrich, Lauren, Farrar, Thomas C.

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 87 KB

english, 2007

33

Heterogeneous Reactions of Linoleic Acid and Linolenic Acid Particles with Ozone: Reaction Pathways and Changes in Particle Mass, Hygroscopicity, and Morphology

Lee, Alex K. Y., Chan, Chak K.

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 467 KB

english, 2007

34

The Exceptional Hydrogen-Bond Properties of Neutral and Protonated Lobeline

Locati, Abel, Berthelot, Michel, Evain, Michel, Lebreton, Jacques, Le Questel, Jean-Yves, Mathé-Allainmat, Monique, Planchat, Aurélien, Renault, Eric, Graton, Jérôme

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 174 KB

english, 2007

35

Can Changes in One-bond Spin−spin Coupling Constants in Acids Be Related to Gas-Phase Proton Affinities of Bases?

Del Bene, Janet E., Elguero, José

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 87 KB

english, 2007

36

Two-Photon Absorption Dependence on the Temperature for Azoaromatic Compounds: Effect of Molecular Conformation

De Boni, L., Piovesan, E., Misoguti, L., Zílio, S. C., Mendonca, C. R.

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 97 KB

english, 2007

37

Femtosecond Time-Resolved Photophysics of 1,4,5,8-Naphthalene Diimides

Ganesan, Palaniswamy, Baggerman, Jacob, Zhang, Hong, Sudhölter, Ernst J. R., Zuilhof, Han

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 245 KB

english, 2007

38

High-Resolution Infrared Spectrum of the ν 1 Band of η 5 -C 5 H 5 NiNO

Karunatilaka, Chandana, Subramanian, Ranga, Pedroza, Davian, Idar, Deanne J., Kukolich, Stephen G.

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 71 KB

english, 2007

39

Ground- and Excited-State Proton Transfer and Rotamerism in 2-(2-Hydroxyphenyl)-5-phenyl-1,3,4-oxadiazole and Its O/“NH or S”-Substituted Derivatives

Yang, Zhenna, Yang, Shuangyang, Zhang, Jingping

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 236 KB

english, 2007

40

Agostic Interaction in the Methylidene Metal Dihydride Complexes H 2 MCH 2 (M = Y, Zr, Nb, Mo, Ru, Th, or U)

Roos, Björn O., Lindh, Roland, Cho, Han-Gook, Andrews, Lester

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 297 KB

english, 2007

41

Structural Study of the Thermally Induced and Photoinduced Phase Transitions of the 1,3,5-Trithia-2,4,6-triazapentalenyl (TTTA) Radical

Naumov, Panče, Hill, Jonathan P., Sakurai, Kenji, Tanaka, Masahiko, Ariga, Katsuhiko

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 231 KB

english, 2007

42

Experimental ( 13 C NMR) and Theoretical ( ab Initio Molecular Orbital Calculations) Studies on the Prototropic Tautomerism of Benzotriazole and Some Derivatives Symmetrically Substituted on the Benzene Ring

Poznański, Jarosław, Najda, Andżelika, Bretner, Maria, Shugar, David

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 202 KB

english, 2007

43

Cyanides and Isocyanides of First-Row Transition Metals: Molecular Structure, Bonding, and Isomerization Barriers

Rayón, Víctor M., Redondo, Pilar, Valdés, Haydee, Barrientos, Carmen, Largo, Antonio

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 137 KB

english, 2007

44

Interaction of Hydrogen Chloride with Ice Surfaces: The Effects of Grain Size, Surface Roughness, and Surface Disorder

McNeill, V. Faye, Geiger, Franz M., Loerting, Thomas, Trout, Bernhardt L., Molina, Luisa T., Molina, Mario J.

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 315 KB

english, 2007

45

Temperature-Dependent Kinetics Study of the Gas-Phase Reactions of OH with n - and i -Propyl Bromide

Bryukov, Mikhail G., Vidrine, Rebecca G., Dellinger, Barry

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 140 KB

english, 2007

46

Uncatalyzed Transfer Hydrogenation of Quinones and Related Systems: A Theoretical Mechanistic Study

Chan, Bun, Radom, Leo

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 261 KB

english, 2007

47

The Investigation of Water Diffusion into Teflon Copolymer Revealed by Fiber-optic Evanescent Wave Spectroscopy

Raichlin, Yosef, Marx, Sharon, Katzir, Abraham

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 120 KB

english, 2007

48

Reaction Paths of the Water-Assisted Solvolysis of N , N -Dimethylformamide

Tsuchida, Noriko, Satou, Harumi, Yamabe, Shinichi

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 609 KB

english, 2007

49

Matrix-Isolation Infrared Spectroscopic and Theoretical Studies on Reactions of Laser-Ablated Germanium Atoms with Water Molecules

Teng, Yun-Lei, Jiang, Ling, Han, Song, Xu, Qiang

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 129 KB

english, 2007

50

High-Resolution Microwave Studies of Ring-Structured Complexes between Trifluoroacetic Acid and Water

Ouyang, Bin, Starkey, Tony G., Howard, Brian J.

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 306 KB

english, 2007

51

Theoretical Analysis of Intermolecular Covalent π−π Bonding and Magnetic Properties of Phenalenyl and spiro -Biphenalenyl Radical π-Dimers

Huang, Jingsong, Kertesz, Miklos

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 257 KB

english, 2007

52

Conformational Study of (8α,8‘β)-Bis(substituted phenyl)-lignano-9,9‘-lactones by Means of Combined Computational, Database Mining, NMR, and Chemometric Approaches

Kiralj, Rudolf, Ferreira, Márcia M. C., Donate, Paulo M., da Silva, Rosangela, Albuquerque, Sergio

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 509 KB

english, 2007

53

Formation and Characterization of the Tetranuclear Scandium Nitride: Sc 4 N 4

Gong, Yu, Zhao,, Zhou, Mingfei

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 111 KB

english, 2007

54

π-Donor/Acceptor Effect on Lindqvist Type Polyoxomolibdates Because of Various Multiple-Bonded Nitrogenous Ligands

Carey, Desmond Mac-Leod, Muñoz-Castro, Alvaro, Bustos, Carlos J., Manríquez, Juan M., Arratia-Pérez, Ramiro

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 196 KB

english, 2007

55

Spectroscopic Properties of MgH 2 , MgD 2 , and MgHD Calculated from a New ab Initio Potential Energy Surface

Li, Hui, Le Roy, Robert J.

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 154 KB

english, 2007