Volume 114; Issue 5

Journal of Physical Chemistry A

Volume 114; Issue 5

1

Conformational Properties of 1-Silyl-1-Silacyclohexane, C5H10SiHSiH3: Gas Electron Diffraction, Low-Temperature NMR, Temperature-Dependent Raman Spectroscopy, and Quantum Chemical Calculations&

Wallevik, Sunna Ó., Bjornsson, Ragnar, Kvaran, Ágúst, Jonsdottir, Sigridur, Arnason, Ingvar, Belyakov, Alexander V., Baskakov, Alexander A., Hassler, Karl, Oberhammer, Heinz

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 1.71 MB

english, 2010

2

Basis Set and Method Dependence in Atoms in Molecules Calculations

Jabłoński, Mirosław, Palusiak, Marcin

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 326 KB

english, 2010

3

Tunable Electronic Structures and Optical Properties of Fluorenone-Based Molecular Materials by Heteroatoms

Song, Peng, Ma, Fengcai

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 1.38 MB

english, 2010

4

Solid-State 79/81 Br NMR and Gauge-Including Projector-Augmented Wave Study of Structure, Symmetry, and Hydration State in Alkaline Earth Metal Bromides

Widdifield, Cory M., Bryce, David L.

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 4.14 MB

english, 2010

5

Carbonate Radical Formation in Radiolysis of Sodium Carbonate and Bicarbonate Solutions up to 250 °C and the Mechanism of its Second Order Decay

Haygarth, Kyle S., Marin, Timothy W., Janik, Ireneusz, Kanjana, Kotchaphan, Stanisky, Christopher M., Bartels, David M.

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 263 KB

english, 2010

6

Interplay between Amplified Spontaneous Emission, Förster Resonant Energy Transfer, and Self-Absorption in Hybrid Poly(9,9-dioctylfluorene)-CdSe/ZnS Nanocrystal Thin Films

Anni, M., Alemanno, E., Cretí, A., Ingrosso, C., Panniello, A., Striccoli, M., Curri, M. L., Lomascolo, M.

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 729 KB

english, 2010

7

First Principles Simulation of the Bonding, Vibrational, and Electronic Properties of the Hydration Shells of the High-Spin Fe 3+ Ion in Aqueous Solutions

Bogatko, Stuart A., Bylaska, Eric J., Weare, John H.

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 3.93 MB

english, 2010

8

Scaling Behavior of Electronic Excitations in Assemblies of Molecules with Degenerate Ground States

Fan, H.-J., Perkins, C., Ortoleva, P. J.

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 227 KB

english, 2010

9

Nonlinear Optical Detection of Electron Transfer Adiabaticity in Metal Polypyridyl Complexes

Miller, Stephen A., Moran, Andrew M.

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 1.86 MB

english, 2010

10

Structural Features Analysis and Nonlinearity of End-Cap-Substituted Polyacetylenes

Borini, Stefano, Limacher, Peter A., Lüthi, Hans Peter

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 996 KB

english, 2010

11

The Reason Why HAlCl 4 Acid Does Not Exist

Sikorska, Celina, Freza, Sylwia, Skurski, Piotr

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 973 KB

english, 2010

12

Combined Experimental and Theoretical Study of Al n X ( n = 1−6; X = As, Sb) Clusters: Evidence of Aromaticity and the Jellium Model

Melko, Joshua J., Clayborne, Peneé A., Jones, Charles E., Reveles, J. Ulises, Gupta, Ujjwal, Khanna, Shiv N., Castleman, A. W.

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 2.84 MB

english, 2010

13

Water Adsorption on Kaolinite Surfaces Containing Trenches

Croteau, T., Bertram, A. K., Patey, G. N.

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 8.90 MB

english, 2010

14

Mechanism of Aqueous-Phase Ozonation of S(IV)

Kahan, Tara F., Ardura, Diego, Donaldson, D. J.

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 528 KB

english, 2010

15

Radiolytic Yield of U IV Oxidation into U VI : A New Mechanism for U V Reactivity in Acidic Solution

Atinault, E., De Waele, V., Belloni, J., Le Naour, C., Fattahi, M., Mostafavi, M.

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 609 KB

english, 2010

16

Time-Resolved Electron Paramagnetic Resonance Study of Rhodium(III) Corrole Excited States

Wagnert, Linn, Berg, Alexander, Saltsman, Irena, Gross, Zeev, Rozenshtein, Vladimir

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 901 KB

english, 2010

17

Photodissociation Dynamics of Propargyl Alcohol at 212 nm: The OH Production Channel

Lee, Ji Hye, Hwang, Hyonseok, Kwon, Chan Ho, Kim, Hong Lae

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 377 KB

english, 2010

18

Model Systems for the Investigation of the Opsin Shift in Bacteriorhodopsin

Lasogga, Lars, Rettig, Wolfgang, Otto, Harald, Wallat, Ingrid, Bricks, Julia

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 1.26 MB

english, 2010

19

Structure of Zirconocene Complexes Relevant for Olefin Catalysis: Infrared Fingerprint of the Zr(C 5 H 5 ) 2 (OH)(CH 3 CN) + Cation in the Gas Phase

Lagutschenkov, Anita, Springer, Andreas, Lorenz, Ulrich Joseph, Maitre, Philippe, Dopfer, Otto

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 396 KB

english, 2010

20

Reactions of Mn(II) and Mn(III) with Alkyl, Peroxyalkyl, and Peroxyacyl Radicals in Water and Acetic Acid

Jee, Joo-Eun, Bakac, Andreja

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 270 KB

english, 2010

21

A Combined Experimental and Theoretical Study of Iron Dinitrogen Complexes: Fe(N 2 ), Fe(NN) x ( x = 1−5), and Fe(NN) 3−

Lu, Zhang-Hui, Jiang, Ling, Xu, Qiang

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 1.14 MB

english, 2010

22

Direct Observation of Proton Transfer in Ice Ih Using Femtosecond Spectroscopy

Timmer, R. L. A., Cox, M. J., Bakker, H. J.

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 1.75 MB

english, 2010

23

Microwave Spectrum of 2-Aminooxazole, a Compound of Potential Prebiotic and Astrochemical Interest

Møllendal, Harald, Konovalov, Alexey

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 221 KB

english, 2010

24

Quantum-Chemical Calculations of a Long Proton Wire. Application of a Harmonic Model to Analysis of the Structure of an Ionic Defect in a Water Chain with an Excess Proton

Isaev, Alexander N.

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 2.36 MB

english, 2010