Volume 113; Issue 17

Journal of Physical Chemistry A

Volume 113; Issue 17

1

The Benzene−Argon Ground-State Intermolecular Potential Energy Surface Revisited

Capelo, Silvia Bouzón, Fernández, Berta, Koch, Henrik, Felker, Peter M.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 129 KB

english, 2009

2

Formation Enthalpies and Bond Dissociation Energies of Alkylfurans. The Strongest CX Bonds Known?

Simmie, John M., Curran, Henry J.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 262 KB

english, 2009

3

Thermochemistry and Electronic Structure of Small Boron and Boron Oxide Clusters and Their Anions

Nguyen, Minh Tho, Matus, Myrna H., Ngan, Vu Thi, Grant, Daniel J., Dixon, David A.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 1.02 MB

english, 2009

4

Polar (Acyclic) Isomer of Formic Acid Dimer: Gas-Phase Raman Spectroscopy Study and Thermodynamic Parameters

Balabin, Roman M.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 535 KB

english, 2009

5

IR Spectroscopy and Theory of Cu + (H 2 O)Ar 2 and Cu + (D 2 O)Ar 2 in the O−H (O−D) Stretching Region: Fundamentals and Combination Bands

Carnegie, P. D., McCoy, A. B., Duncan, M. A.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 774 KB

english, 2009

6

Thermochemistry of Radicals and Molecules Relevant to Atmospheric Chemistry: Determination of Group Additivity Values using G3//B3LYP Theory

Khan, Shumaila S., Yu, Xinrui, Wade, Jeffrey R., Malmgren, R. Dean, Broadbelt, Linda J.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 454 KB

english, 2009

7

Solvent Dependence on Bond Length Alternation and Charge Distribution in Phenol Blue: A Car−Parrinello Molecular Dynamics Investigation

Murugan, N. Arul, Rinkevicius, Zilvinas, Ågren, Hans

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 551 KB

english, 2009

8

Kinetics and Mechanism of Carbamate Formation from CO 2 (aq), Carbonate Species, and Monoethanolamine in Aqueous Solution

McCann, Nichola, Phan, Duong, Wang, Xiaoguang, Conway, William, Burns, Robert, Attalla, Moetaz, Puxty, Graeme, Maeder, Marcel

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 250 KB

english, 2009

9

Acidities of Arsenic (III) and Arsenic (V) Thio- and Oxyacids in Aqueous Solution using the CBS-QB3/CPCM Method

Zimmermann, Merle D., Tossell, John A.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 246 KB

english, 2009

10

A Computational Study of the Phosphorylation Mechanism of the Insulin Receptor Tyrosine Kinase

Zhou, Baojing, Wong, Chung F.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 221 KB

english, 2009

11

Gigantic Blue Shift of the H−Ar Stretch Vibration in π Hydrogen-Bonded C 2 H 2 ···HArCCF Complex

Cheng, Jianbo, Wang, Yilei, Li, Qingzhong, Liu, Zhenbo, Li, Wenzuo, Gong, Baoan

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 130 KB

english, 2009

12

Calculated Thermochemistry of Aminonitroacetylene: A New High-Energy Material?

Mathews, Kelly Y., Ball, David W.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 301 KB

english, 2009

13

Assessment of the Accuracy of Theoretical Methods for Calculating 27 Al Nuclear Magnetic Resonance Shielding Tensors of Aquated Aluminum Species

Qian, Zhaosheng, Feng, Hui, He, Lina, Yang, Wenjing, Bi, Shuping

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 532 KB

english, 2009

14

van der Waals Interactions in Density Functional Theory Using Wannier Functions

Silvestrelli, Pier Luigi

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 355 KB

english, 2009

15

Electronic Bistability in Linear Beryllium Chains

Helal, Wissam, Monari, Antonio, Evangelisti, Stefano, Leininger, Thierry

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 262 KB

english, 2009

16

Experimental Observation of Guanine Tautomers with VUV Photoionization

Zhou, Jia, Kostko, Oleg, Nicolas, Christophe, Tang, Xiaonan, Belau, Leonid, de Vries, Mattanjah S., Ahmed, Musahid

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 564 KB

english, 2009

17

On the Intramolecular Origin of the Blue Shift of A−H Stretching Frequencies: Triatomic Hydrides HAX

Karpfen, Alfred, Kryachko, Eugene S.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 358 KB

english, 2009

18

A Density Functional Theory Study of the Topology of the Charge Density of Complexes of 8-Hydroxyquinoline with Mn(III), Fe(III), and Co(III)

Murgich, Juan, Franco, Héctor J.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 900 KB

english, 2009

19

Reply to “Comment on ’Closing the Loop on Bond Selective Chemistry Using Tailored Strong Field Laser Pulses’”: Experimental Requirements for Strong Field Control in the Picosecond Regime

Levis, Robert J.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 41 KB

english, 2009

20

Why Oxonium Cation in the Crystal Phase is a Bad Acceptor of Hydrogen Bonds: A Charge Density Analysis of Potassium Oxonium Bis(hydrogensulfate)

Nelyubina, Yulia V., Troyanov, Sergey I., Antipin, Mikhail Yu., Lyssenko, Konstantin A.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 655 KB

english, 2009

21

Photodissociation of [Fe x (C 24 H 12 ) y ] + Complexes in the PIRENEA Setup: Iron-Polycyclic Aromatic Hydrocarbon Clusters as Candidates for Very Small Interstellar Grains

Simon, Aude, Joblin, Christine

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 504 KB

english, 2009

22

Reactive Uptake of Trimethylamine into Ammonium Nitrate Particles

Lloyd, Julie A., Heaton, Katherine J., Johnston, Murray V.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 142 KB

english, 2009

23

Conformational Isomerization and Collisional Cooling Dynamics of Bis(2-hydroxyphenyl)methane

Pillsbury, Nathan R., Müller, Christian W., Zwier, Timothy S.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 1005 KB

english, 2009

24

Rate Constants for OH with Selected Large Alkanes: Shock-Tube Measurements and an Improved Group Scheme

Sivaramakrishnan, R., Michael, J. V.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 1.39 MB

english, 2009

25

Rate Constants of Nine C6−C9 Alkanes with OH from 230 to 379 K: Chemical Tracers for [OH]

Sprengnether, Michele M., Demerjian, Kenneth L., Dransfield, Timothy J., Clarke, James S., Anderson, James G., Donahue, Neil M.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 981 KB

english, 2009

26

Reactivity of Group 5 Bielement Clusters with H 2

Miyajima, Ken, Fukushima, Naoya, Mafuné, Fumitaka

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 817 KB

english, 2009

27

Kinetics of Ion−Molecule Reactions with Dimethyl Methylphosphonate at 298 K for Chemical Ionization Mass Spectrometry Detection of GX

Midey, Anthony J., Miller, Thomas M., Viggiano, A. A.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 146 KB

english, 2009

28

Comment on “Closing the Loop on Bond Selective Chemistry Using Tailored Strong Field Laser Pulses”

Zhu, Xin, Gunaratne, Tissa C., Lozovoy, Vadim V., Dantus, Marcos

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 292 KB

english, 2009

29

Cryogenic Terahertz Spectrum of (+)-Methamphetamine Hydrochloride and Assignment Using Solid-State Density Functional Theory

Hakey, Patrick M., Allis, Damian G., Ouellette, Wayne, Korter, Timothy M.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 1.09 MB

english, 2009

30

Information-Theoretical Analysis of Time-Correlated Single-Photon Counting Measurements of Single Molecules

Talaga, David S.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 1.98 MB

english, 2009

31

Photoinduced Ring-Opening of a Photochromic Dihydroindolizine Derivative Monitored with Femtosecond Visible and Infrared Spectroscopy †

Mohammed, Omar F., Ahmed, Saleh A., Vauthey, Eric, Nibbering, Erik T. J.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 983 KB

english, 2009

32

The Resonance Energy of Benzene: A Revisit

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 100 KB

english, 2009

33

Anion-Catalyzed Dissolution of NO 2 on Aqueous Microdroplets

Yabushita, A., Enami, S., Sakamoto, Y., Kawasaki, M., Hoffmann, M. R., Colussi, A. J.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 403 KB

english, 2009

34

NMR Temperature-Jump Method for Measuring Reaction Rates: Reaction of Dimethylanthracene with H 2 @C 60

Frunzi, Michael, Xu, Hai, Cross, R. James, Saunders, Martin

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 72 KB

english, 2009

35

Beyond 7-Azaindole: Conjugation Effects on Intermolecular Double Hydrogen-Atom Transfer Reactions

Baiz, Carlos R., Ledford, Sarah J., Kubarych, Kevin J., Dunietz, Barry D.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 898 KB

english, 2009

36

Laterally Extended Spiral Graphite Analogue Boron−Nitrogen Helices

Szakacs, Csaba E., Mezey, Paul G.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 797 KB

english, 2009

37

The Probable Molecular Association in Liquid D-1-Propanol through Neutron Diffraction

Sahoo, A., Sarkar, S., Bhagat, V., Joarder, R. N.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 86 KB

english, 2009

38

Ion-Pair Dissociation Dynamics of HCl: Fast Predissociation

Song, Di, Liu, Kai, Kong, Fan-ao, Li, Juan, Mo, Yuxiang

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 707 KB

english, 2009

39

Matrix Infrared Spectra of Dihydrido Cyclic and Trihydrido Ethynyl Products from Reactions of Th and U Atoms with Ethylene Molecules

Cho, Han-Gook, Andrews, Lester

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 641 KB

english, 2009

40

Infrared Spectra of Transition-Metal Dioxide Anions: MO 2− (M = Rh, Ir, Pt, Au) in Solid Argon

Gong, Yu, Zhou, Mingfei

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 111 KB

english, 2009

41

Dynamics of OH Formation in the Photodissociation of o -Nitrobenzoic Acid at 295 and 355 nm

Zhou, Can-Hua, Cheng, Shi-Bo, Sun, Ju-Long, Yin, Hong-Ming, Han, Ke-Li, He, Guo-Zhong

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 363 KB

english, 2009

42

Photoinduced Intramolecular Electron Transfer in Conjugated Perylene Bisimide-Dithienothiophene Systems: A Comparative Study of a Small Molecule and a Polymer

Huang, Jie, Wu, Yishi, Fu, Hongbing, Zhan, Xiaowei, Yao, Jiannian, Barlow, Stephen, Marder, Seth R.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 342 KB

english, 2009

43

Action Spectroscopy of Gas-Phase Carboxylate Anions by Multiple Photon IR Electron Detachment/Attachment

Steill, Jeffrey D., Oomens, Jos

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 301 KB

english, 2009

44

Tuning Optical Properties of Magic Number Cluster (SiO 2 ) 4 O 2 H 4 by Substitutional Bonding with Gold Atoms

Cai, Xiulong, Zhang, Peng, Ma, Liuxue, Zhang, Wenxian, Ning, Xijing, Zhao, Li, Zhuang, Jun

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 972 KB

english, 2009

45

Polarization and Spectral Shift of Benzophenone in Supercritical Water

Fonseca, T. L., Georg, H. C., Coutinho, K., Canuto, S.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 557 KB

english, 2009

46

Investigation of Gaussian4 Theory for Transition Metal Thermochemistry

Mayhall, Nicholas J., Raghavachari, Krishnan, Redfern, Paul C., Curtiss, Larry A.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 72 KB

english, 2009

47

EPR Line Shifts and Line Shape Changes due to Spin Exchange of Nitroxide Free Radicals in Liquids: 6. Separating Line Broadening due to Spin Exchange and Dipolar Interactions

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

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 227 KB

english, 2009

48

Effect of Ground-State Twisting on the trans → cis Photoisomerization and TICT State Formation of Aminostilbenes §

Yang, Jye-Shane, Lin, Cheng-Kai, Lahoti, Anand M., Tseng, Chung-Kai, Liu, Yi-Hung, Lee, Gene-Hsiang, Peng, Shie-Ming

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 354 KB

english, 2009

49

Combined Experimental Studies and Theoretical Calculations To Yield the Complete Molecular Structure and Vibrational Spectra of (CH 3 ) 3 GeH

Roldán, María L., Brandán, Silvia A., Masters (née Hinchley), Sarah L., Wann, Derek A., Robertson, Heather E., Rankin, David W. H., Altabef, Aída Ben

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 232 KB

english, 2009

50

Kinetics of the Oxidation of Iron Carbide Dispersed in a Carbon Matrix with Water Vapor

Arabczyk, Walerian, Ekiert, Ewa, Jȩdrzejewski, Roman

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 347 KB

english, 2009

51

η 3 -Sandwich-Like Complexes Based on the Smallest Polynitrogen Ring

Jin, Lin, Ding, Yi-hong

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 1.97 MB

english, 2009

52

Matrix Isolation Infrared Spectrum of the Sulfuric Acid−Monohydrate Complex: New Assignments and Resolution of the “Missing H-Bonded ν(OH) Band” Issue

Rozenberg, M., Loewenschuss, A.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 357 KB

english, 2009

53

Study of Ion Transport Models for Electroanalytical Simulation. Part 2: Experimental Comparison †

Van Damme, S., Smets, N., De Wilde, D., Weyns, G., Deconinck, J.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 296 KB

english, 2009

54

Adiabatic Interaction Leading to the Avoided Crossing between the Twin 3 1 Δ g and 4 1 Δ g Rydberg States in Na 2

Whang, Thou-Jen, Chaudhuri, Chanchal, Chang, Ray-Yuan, Chen, Wei-Xiang, Tsai, Chin-Chun

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 169 KB

english, 2009

55

Uptake Measurements of Acetaldehyde on Solid Ice Surfaces and on Solid/Liquid Supercooled Mixtures Doped with HNO 3 in the Temperature Range 203−253 K

Petitjean, M., Mirabel, Ph., Calvé, S. Le

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 592 KB

english, 2009

56

Hybrid-DFT Study on Electronic Structures of the Active Site of Sweet Potato Purple Acid Phosphatase: The Origin of Stronger Antiferromagnetic Couplings than Other Purple Acid Phosphatases

Koizumi, Kenichi, Yamaguchi, Kizashi, Nakamura, Haruki, Takano, Yu

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 822 KB

english, 2009

57

An Excellent Fluorescent Dye with a Twistable Aromatic Chain and Its Axially Chiral Crystals

Ma, Yan, Hao, Rui, Shao, Guangsheng, Wang, Yuan

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 923 KB

english, 2009

58

Infrared Spectrum of Carbon Trisulfide in Solid Argon

Ma, Renhu, Yuan, Dongmei, Chen, Mohua, Zhou, Mingfei, Wang, Xuefeng, Andrews, Lester

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 116 KB

english, 2009

59

Conformational Effects on Excitonic Interactions in a Prototypical H-Bonded Bichromophore: Bis(2-hydroxyphenyl)methane

Pillsbury, Nathan R., Müller, Christian W., Meerts, W. Leo, Plusquellic, David F., Zwier, Timothy S.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 612 KB

english, 2009

60

Reactive Uptake of N 2 O 5 by Aerosols Containing Dicarboxylic Acids. Effect of Particle Phase, Composition, and Nitrate Content

Griffiths, Paul T., Badger, Claire L., Cox, R. Anthony, Folkers, Mareike, Henk, Hartmut H., Mentel, Thomas F.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 432 KB

english, 2009