Volume 115; Issue 17

Journal of Physical Chemistry A

Volume 115; Issue 17

1

Fisher Information and Steric Effect: Study of the Internal Rotation Barrier of Ethane

Esquivel, Rodolfo O., Liu, Shubin, Angulo, Juan Carlos, Dehesa, Jesús S., Antolín, Juan, Molina-Espíritu, Moyocoyani

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 1.68 MB

english, 2011

2

The 1:1 Host−Guest Complexation between Cucurbit[7]uril and Styryl Dye

Ivanov, Denis A., Petrov, Nikolai Kh., Nikitina, Ekaterina A., Basilevsky, Mikhail V., Vedernikov, Artem I., Gromov, Sergey P., Alfimov, Michael V.

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 2.32 MB

english, 2011

3

Mercury Ions Complexation with a Series of Heterocyclic Derivatives of 3-Hydroxychromone: Spectral Effects and Prospects for Ultrasensitive Hg2+ Probing

Svechkarev, Denis, Dereka, Bogdan, Doroshenko, Andrey

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 2.30 MB

english, 2011

4

Long-Term γ-Radiolysis Kinetics of NO3− and NO2− Solutions

Yakabuskie, Pamela A., Joseph, Jiju M., Stuart, Craig R., Wren, J. Clara

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 1.71 MB

english, 2011

5

Kinetics of Al + H2O Reaction: Theoretical Study

Sharipov, Alexander, Titova, Nataliya, Starik, Alexander

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 1.10 MB

english, 2011

6

Pressure Dependence of Stabilized Criegee Intermediate Formation from a Sequence of Alkenes

Drozd, Greg T., Donahue, Neil M.

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 1.06 MB

english, 2011

7

Mononuclear Homoleptic Allyl Complexes of the First Row Transition Metals: Species with Unusual Metal Electronic Configurations

Pu, Mao Ping, Li, Qian-shu, Xie, Yaoming, King, R. Bruce, Schaefer, Henry F.

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 4.81 MB

english, 2011

8

Kinetics of the Wurtzite-to-Rock-Salt Phase Transformation in ZnO at High Pressure

Solozhenko, Vladimir L., Kurakevych, Oleksandr O., Sokolov, Petr S., Baranov, Andrey N.

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 771 KB

english, 2011

9

Tautomerism in 7-Hydroxyquinoline: A Combined Experimental and Theoretical Study in Water

Al-Lawatia, Najla, Husband, John, Steinbrecher, Thomas, Abou-Zied, Osama K.

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 1.92 MB

english, 2011

10

Halogen−Hydride Interaction between Z−X (Z = CN, NC; X = F, Cl, Br) and H−Mg−Y (Y = H, F, Cl, Br, CH 3 )

Mohajeri, Afshan, Alipour, Mojtaba, Mousaee, Mahboubeh

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 2.70 MB

english, 2011

11

How Does Halogen Bonding Behave in Solution? A Theoretical Study Using Implicit Solvation Model

Lu, Yunxiang, Li, Haiying, Zhu, Xiang, Zhu, Weiliang, Liu, Honglai

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 2.03 MB

english, 2011

12

High-Pressure Study of Lithium Azide from Density-Functional Calculations

Ramesh Babu, K., Bheema Lingam, Ch., Tewari, Surya P., Vaitheeswaran, G.

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 4.51 MB

english, 2011

13

A Computationally Efficient and Reliable Bond Order Measure

Mera-Adasme, Raúl, Mendizábal, Fernando, Olea-Azar, Claudio, Miranda-Rojas, Sebastián, Fuentealba, Patricio

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 4.16 MB

english, 2011

14

Microwave Spectrum, Conformational Composition, and Intramolecular Hydrogen Bonding of (2-Chloroethyl)amine (ClCH 2 CH 2 NH 2 )

Møllendal, Harald, Samdal, Svein, Guillemin, Jean-Claude

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 1.02 MB

english, 2011

15

Synthesis and Photopysical Properties of a Polioxo Ethylene Chain Alkaline Earth Metal Fluorescent Sensor with 2-Aminoanthracene As Terminal Group

Xu, Chan, Liu, Weisheng, Qin, Wenwu

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 2.46 MB

english, 2011

16

Nonadiabatic Decomposition of Gas-Phase RDX through Conical Intersections: An ONIOM-CASSCF Study

Bhattacharya, A., Bernstein, E. R.

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 3.43 MB

english, 2011

17

Joint Experimental and Theoretical Analysis of Order−Disorder Effects in Cubic BaZrO 3 Assembled Nanoparticles under Decaoctahedral Shape

Moreira, Mário Lúcio, Buzolin, Prescila Glaucia Cristianine, Longo, Valeria Moraes, Nicoleti, Nelio Henrique, Sambrano, Julio Ricardo, Li, Maximu S., Varela, José Arana, Longo, Elson

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 4.34 MB

english, 2011

18

Formation of Molecular Halide Ions from Alkyl-Halide Clusters Irradiated by ps and fs Laser Pulses

Karras, G., Danakas, S., Kosmidis, C.

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 2.56 MB

english, 2011

19

Quantum Chemical and Theoretical Kinetics Study of the O( 3 P) + CS 2 Reaction

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 1.03 MB

english, 2011

20

Structural and Vibrational Properties of Arsenic Sulfides: Alacranite (As 8 S 9 )

Pagliai, Marco, Bonazzi, Paola, Bindi, Luca, Muniz-Miranda, Maurizio, Cardini, Gianni

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 2.73 MB

english, 2011

21

Measuring Molecular Dynamics and Activation Energies for Quaternary Acyclic Ammonium and Cyclic Pyrrolidinium Ionic Liquids Using 14 N NMR Spectroscopy

Alam, Todd M., Dreyer, Daniel R., Bielwaski, Christopher W., Ruoff, Rodney S.

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 1.95 MB

english, 2011

22

2 H NMR Study of Dynamics of Benzene- d 6 Interacting with Humic and Fulvic Acids

Eastman, Margaret A., Brothers, Lucinda A., Nanny, Mark A.

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 2.92 MB

english, 2011

23

Solubility of Acetic Acid and Trifluoroacetic Acid in Low-Temperature (207−245 K) Sulfuric Acid Solutions: Implications for the Upper Troposphere and Lower Stratosphere

Sulbaek Andersen, Mads P., Axson, Jessica L., Michelsen, Rebecca R. H., Nielsen, Ole John, Iraci, Laura T.

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 1.94 MB

english, 2011

24

Comparative Matrix Isolation Infrared Spectroscopy Study of 1,3- and 1,4-Diene Monoterpenes (α-Phellandrene and γ-Terpinene)

Marzec, K. M., Reva, I., Fausto, R., Proniewicz, L. M.

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 4.88 MB

english, 2011

25

Infrared Electroabsorption Spectroscopy of N , N -Dimethyl- p -nitroaniline in Acetonitrile/C 2 Cl 4 : Solvation of the Solute and Self-Association of Acetonitrile

Wang, Wei-Chieh, Shigeto, Shinsuke

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 1.57 MB

english, 2011

26

Unimolecular Chemistry of Doubly Protonated Zwitterionic Clusters

Yoo, Ellie Jung-Hwa, Feketeová, Linda, Khairallah, George N., O’Hair, Richard A. J.

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 1.58 MB

english, 2011

27

Theoretical Study of [Ni (H 2 O) n ] 2+ (H 2 O) m ( n ≤ 6, m ≤ 18)

Bustamante, Marcía, Valencia, Israel, Castro, Miguel

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 12.69 MB

english, 2011

28

Time-Resolved Gas-Phase Kinetic, Quantum Chemical, and RRKM Studies of Reactions of Silylene with Alcohols

Becerra, Rosa, Cannady, J. Pat, Walsh, Robin

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 1.22 MB

english, 2011

29

Vacuum Ultraviolet Negative Photoion Spectroscopy of Chloroform

Chen, Liu-Li, Xu, Yun-Feng, Feng, Qiang, Tian, Shan Xi, Liu, Fu-Yi, Shan, Xiao-Bin, Sheng, Liu-Si

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 2.35 MB

english, 2011

30

Raman Spectroscopic Study of Tungsten(VI) Oxosulfato Complexes in WO 3 −K 2 S 2 O 7 −K 2 SO 4 Molten Mixtures: Stoichiometry, Vibrational Properties, and Molecular Structure

Paulsen, Andreas L., Kalampounias, Angelos G., Berg, Rolf W., Boghosian, Soghomon

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 2.58 MB

english, 2011

31

Solid State and Solution Nitrate Photochemistry: Photochemical Evolution of the Solid State Lattice

Asher, Sanford A., Tuschel, David D., Vargson, Todd A., Wang, Luling, Geib, Steven J.

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 2.97 MB

english, 2011

32

Spectroscopic Evidence of Keto−Enol Tautomerism in Deliquesced Malonic Acid Particles

Ghorai, Suman, Laskin, Alexander, Tivanski, Alexei V.

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 1.84 MB

english, 2011

33

First-Principles Calculations of the Electronic and Geometrical Structures of Neutral [Sc,O,H] Molecules and the Monocations, ScOH 0,+ and HScO 0,+

Miliordos, Evangelos, Hunt, Katharine L. C.

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 1.13 MB

english, 2011

34

Correlation between the out-of-Plane Components of Magnetizability and Central Magnetic Shielding in Unsaturated Cyclic Molecules

Pelloni, Stefano, Lazzeretti, Paolo

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 1.73 MB

english, 2011

35

Origin of the Unusual Ultraviolet Absorption of Arsenicin A

Arulmozhiraja, Sundaram, Coote, Michelle L., Lu, Di, Salem, Geoffrey, Wild, S. Bruce

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 2.94 MB

english, 2011

36

Molecular Dynamics and Ion Mobility Spectrometry Study of Model β-Hairpin Peptide, Trpzip1

Chen, Liuxi, Shao, Qiang, Gao, Yi-Qin, Russell, David H.

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 4.92 MB

english, 2011

37

Equilibration of Vibrationally Excited OH in Atomic and Diatomic Bath Gases

McCaffery, Anthony J., Pritchard, Marisian, Turner, John F. C., Marsh, Richard J.

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 1.97 MB

english, 2011

38

Theoretical Studies of Electron Transport in Thiophene Dimer: Effects of Substituent Group and Heteroatom

Yuan, Shundong, Dai, Chunlei, Weng, Jiena, Mei, Qunbo, Ling, Qidan, Wang, Lianhui, Huang, Wei

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 7.89 MB

english, 2011

39

Analytical Expression of Non-Steady-State Concentrations and Current Pertaining to Compounds Present in the Enzyme Membrane of Biosensor

Shanmugarajan, Anitha, Alwarappan, Subbiah, Rajendran, Lakshmanan

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 1.71 MB

english, 2011

40

Effects of Dynamical Couplings in IR Spectra of the Hydrogen Bond in N -Phenylacrylamide Crystals

Flakus, Henryk T., Michta, Anna, Nowak, Maria, Kusz, Joachim

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 3.12 MB

english, 2011

41

d − d Spectra of Transition-Metal Carbodiimides and Hydrocyanamides as Derived from Many-Particle Effective Hamiltonian Calculations

Tchougréeff, Andrei L., Dronskowski, Richard

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 1.79 MB

english, 2011

42

Temperature Dependent Absorption Spectra of Br − , Br 2•− , and Br 3− in Aqueous Solutions

Lin, Mingzhang, Archirel, Pierre, Van-Oanh, Nguyen Thi, Muroya, Yusa, Fu, Haiying, Yan, Yu, Nagaishi, Ryuji, Kumagai, Yuta, Katsumura, Yosuke, Mostafavi, Mehran

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 2.06 MB

english, 2011

43

[CuCl 3 ] − and [CuCl 4 ] 2− Hydrates in Concentrated Aqueous Solution: A Density Functional Theory and ab Initio Study

Yi, Hai-Bo, Xia, Fei-Fei, Zhou, Quanbao, Zeng, Dewen

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 3.37 MB

english, 2011

44

Direct and Indirect Radiolytic Effects in Highly Concentrated Aqueous Solutions of Bromide

Balcerzyk, Anna, LaVerne, Jay, Mostafavi, Mehran

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 2.90 MB

english, 2011

45

Infrared Predissociation Spectroscopy of M + (C 6 H 6 ) 1−4 (H 2 O) 1−2 Ar 0−1 Cluster Ions, M = Li, Na

Beck, Jordan P., Lisy, James M.

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 3.86 MB

english, 2011

46

Structures, Energies, and Spin−Spin Coupling Constants of Fluoro-Substituted 1,3-Diborata-2,4-diphosphoniocyclobutanes: Four-Member B−P−B−P Rings B 2 P 2 F n H 8− n with n = 0, 1, 2, 4

Del Bene, Janet E., Alkorta, Ibon, Elguero, José

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 1.76 MB

english, 2011

47

Electron Recombination in Ionized Liquid Argon: A Computational Approach Based on Realistic Models of Electron Transport and Reactions

Jaskolski, Michal, Wojcik, Mariusz

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 1.24 MB

english, 2011

48

Synthesis, Optical Characterization, and Electrochemical Properties of Isomeric Tetraphenylbenzodifurans Containing Electron Acceptor Groups

Santos-Pérez, Javier, Crespo-Hernández, Carlos E., Reichardt, Christian, Cabrera, Carlos R., Feliciano-Ramos, Ileana, Arroyo-Ramírez, Lisandra, Meador, Michael A.

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 3.11 MB

english, 2011

49

Relation between Two-Photon Absorption and Dipolar Properties in a Series of Fluorenyl-Based Chromophores with Electron Donating or Electron Withdrawing Substituents

Rebane, Aleksander, Drobizhev, Mikhail, Makarov, Nikolay S., Beuerman, Erich, Haley, Joy E., Krein, Douglas, M., Burke, Aaron R., Flikkema, Jonathan L., Cooper, Thomas M.

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 2.53 MB

english, 2011

50

Correction to “From Water Clustering to Osmotic Coefficients”

Frosch, Mia, Bilde, Merete, Nielsen, Ole F.

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 602 KB

english, 2011

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