Volume 117; Issue 46

Journal of Physical Chemistry A

Volume 117; Issue 46

1

Revealing the Hot Bands in the Regions of the N–H and C–H Stretch Fundamentals of Pyrrole

Epshtein, Michael, Portnov, Alexander, Mayorkas, Nitzan, Rosenwaks, Salman, Brauer, Brina, Bar, Ilana

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 231 KB

english, 2013

2

Orbiting Orbitals: Visualization of Vibronic Motion at a Conical Intersection

Lee, Joonhee, Perdue, Shawn M., Perez, Alejandro Rodriguez, El-Khoury, Patrick Z., Honkala, Karoliina, Apkarian, V. A.

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 528 KB

english, 2013

3

Ion Pairing in Aqueous Lithium Salt Solutions with Monovalent and Divalent Counter-Anions

Pluhařová, Eva, Mason, Philip E., Jungwirth, Pavel

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 1.74 MB

english, 2013

4

Alloy Formation and Chemisorption at Zn/Pt(111) Bimetallic Surfaces Using Alkali ISS, XPD, and TPD

Ho, Chih-Sung, Martono, Eddie, Banerjee, Santanu, Roszell, John, Vohs, John, Koel, Bruce E.

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 988 KB

english, 2013

5

On the Photodetachment from the Green Fluorescent Protein Chromophore

Bravaya, Ksenia B., Krylov, Anna I.

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 1.08 MB

english, 2013

6

Spectroscopic Characterization of B/KNO 3 Diode-Laser Induced Combustion

Sivan, J., Haas, Y.

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 1.29 MB

english, 2013

7

A Crossed Molecular Beam and Ab-Initio Investigation of the Reaction of Boron Monoxide (BO; X 2 Σ + ) with Methylacetylene (CH 3 CCH; X 1 A 1 ): Competing Atomic Hydrogen and Methyl Loss Pathways

Maity, Surajit, Parker, Dorian S. N., Dangi, Beni B., Kaiser, Ralf I., Fau, Stefan, Perera, Ajith, Bartlett, Rodney J.

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 4.10 MB

english, 2013

8

Infrared Spectroscopy and Phase Behavior of n -Butane Aerosols and Thin Films at Cryogenic Temperatures

Lang, E. Kathrin, Knox, Kerry J., Momose, Takamasa, Signorell, Ruth

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 910 KB

english, 2013

9

Probing the Electronic Structures and Relative Stabilities of Monomagnesium Oxide Clusters MgO x – and MgO x ( x = 1–4): A Combined Photoelectron Imaging and Theoretical Investigation

Cheng, Shibo, Berkdemir, Cuneyt, Melko, Joshua J., Castleman, A. W.

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 1.89 MB

english, 2013

10

A Combined Crossed Beam and Ab Initio Investigation of the Gas Phase Reaction of Dicarbon Molecules (C 2 ; X 1 Σ g+ /a 3 Π u ) with Propene (C 3 H 6 ; X 1 A′): Identification of the Resonantly Stabilized Free Radicals 1- and 3-Vinylpropargyl

Dangi, Beni B., Maity, Surajit, Kaiser, Ralf I., Mebel, Alexander M.

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 1.82 MB

english, 2013

11

Argon-Induced Pressure Broadening, Shifting, and Narrowing in the CN A 2 Π–X 2 Σ + (1–0) Band

Forthomme, Damien, McRaven, Christopher P., Sears, Trevor J., Hall, Gregory E.

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 1.02 MB

english, 2013

12

Dynamics of Triplet-State Photochemistry of Pentanal: Mechanisms of Norrish I, Norrish II, and H Abstraction Reactions

Shemesh, Dorit, Lan, Zhenggang, Gerber, R. Benny

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 4.30 MB

english, 2013

13

Grafting Nitroxide Radicals on Nanodiamond Surface Using Click Chemistry

Romanova, Ekaterina E., Akiel, Rana, Cho, Franklin H., Takahashi, Susumu

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 1.91 MB

english, 2013

14

Near-IR Spectrum of NO(X 2 Π)–Xe: A Joint Experimental–Theoretical Investigation

Meyer, H., Kłos, J., Alexander, M. H.

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 1.39 MB

english, 2013

15

Solvent Induced Shifts in the UV Spectrum of Amides

De Silva, Nuwan, Willow, Soohaeng Y., Gordon, Mark S.

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 1.57 MB

english, 2013

16

Formation of Core–Shell Silver–Ethane Clusters in He Droplets

Loginov, Evgeny, Gomez, Luis F., Vilesov, Andrey F.

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 2.10 MB

english, 2013

17

Case of the Missing Isomer: Pathways for Molecular Elimination in the Photoinduced Decomposition of 1,1-Dibromoethane

Kalume, Aimable, George, Lisa, Cunningham, Nicole, Reid, Scott A.

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 1.06 MB

english, 2013

18

Active Thermochemical Tables: Water and Water Dimer

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 734 KB

english, 2013

19

Formation of Indium Carbide Cluster Ions: Experimental and Computational Study

Bernstein, Jonathan, Armon, Eran, Zemel, Erez, Kolodney, Eli

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 1.31 MB

english, 2013

20

Study of the Gas-Phase Oxygen–Hydrogen Exchange Reaction of O( 3 P) + i -C 3 H 7 → H( 2 S) + CH 3 COCH 3

Park, Min-Jin, Jang, Su-Chan, Choi, Jong-Ho

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 1.38 MB

english, 2013

21

F + (H 2 O) 2 Reaction: The Second Water Removes the Barrier

Li, Guoliang, Li, Qian-Shu, Xie, Yaoming, Schaefer, Henry F.

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 1.19 MB

english, 2013

22

Shift from Covalent to Ionic Bonding in Al 2 MoO y ( y = 2–4) Anion and Neutral Clusters

Mann, Jennifer E., Waller, Sarah E., Jarrold, Caroline Chick

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 1.60 MB

english, 2013

23

Persistence of Acetonitrile Bilayers at the Interface of Acetonitrile/Water Mixtures with Silica

Rivera, Christopher A., Bender, John S., Manfred, Katherine, Fourkas, John T.

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 1.05 MB

english, 2013

24

Photodissociation of Ozone from 321 to 329 nm: The Relative Yields of O( 3 P 2 ) with O 2 ( X 3 Σ g– ), O 2 ( a 1 Δ g ) and O 2 ( b 1 Σ g+ )

Ulrich, C. K., Chen, J., Tokel, O., Houston, P. L., Grebenshchikov, S. Yu.

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 1.97 MB

english, 2013

25

Brightly Blue and Green Emitting Cu(I) Dimers for Singlet Harvesting in OLEDs

Leitl, Markus J., Küchle, Fritz-Robert, Mayer, Hermann A., Wesemann, Lars, Yersin, Hartmut

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 2.72 MB

english, 2013

26

H 2 O Vapor Transmission Rate through Polyethylene Naphthalate Polymer Using the Electrical Ca Test

Bertrand, J. A., Higgs, D. J., Young, M. J., George, S. M.

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 1.63 MB

english, 2013

27

Dissociative Photodetachment of the Ethoxide Anion and Stability of the Ethoxy Radical CH 3 CH 2 O •

Poad, Berwyck L. J., Ray, Amelia W., Continetti, Robert E.

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 877 KB

english, 2013

28

More Protected Vibrational States at the Dissociation Limit of SCCl 2

Berrios, Eduardo, Pratt, Susan, Tripathi, Prabhat, Gruebele, Martin

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 1.90 MB

english, 2013

29

Local Modification of Speed of Sound in Lithium Alumino-Silicate Glass/Ceramic Material by Pulsed Laser Irradiation and Thermal Processing

Kim, Y., Helvajian, H.

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 4.87 MB

english, 2013

30

Low-Temperature Combustion Chemistry of n- Butanol: Principal Oxidation Pathways of Hydroxybutyl Radicals

Welz, Oliver, Zádor, Judit, Savee, John D., Sheps, Leonid, Osborn, David L., Taatjes, Craig A.

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 4.98 MB

english, 2013

31

Reformulation and Solution of the Master Equation for Multiple-Well Chemical Reactions

Georgievskii, Yuri, Miller, James A., Burke, Michael P., Klippenstein, Stephen J.

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 574 KB

english, 2013

32

Spectroscopy of Lithium Atoms and Molecules on Helium Nanodroplets

Lackner, Florian, Poms, Johannes, Krois, Günter, Pototschnig, Johann V., Ernst, Wolfgang E.

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 1.27 MB

english, 2013

33

Rotational Dynamics of the Methyl Radical in Superfluid 4 He Nanodroplets

Morrison, Alexander M., Raston, Paul L., Douberly, Gary E.

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 682 KB

english, 2013

34

High-Accuracy Estimates for the Vinylidene-Acetylene Isomerization Energy and the Ground State Rotational Constants of :C═CH 2

Lee, Hyunwoo, Baraban, Joshua H., Field, Robert W., Stanton, John F.

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 691 KB

english, 2013

35

Ultraviolet Photodissociation Dynamics of the o -Pyridyl Radical

Lucas, Michael, Minor, Jasmine, Zhang, Jingsong, Brazier, Christopher

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 722 KB

english, 2013

36

Low Temperature Rate Coefficients for the Reaction CN + HC 3 N

Cheikh Sid Ely, Sidaty, Morales, Sébastien B., Guillemin, Jean-Claude, Klippenstein, Stephen J., Sims, Ian R.

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 1.69 MB

english, 2013

37

Colleagues of Curt Wittig

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 104 KB

english, 2013

38

Investigation of the Structure and Spectroscopy of H 5+ Using Diffusion Monte Carlo

Lin, Zhou, McCoy, Anne B.

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 1.56 MB

english, 2013

39

Exploring the Energy Disposal Immediately After Bond-Breaking in Solution: The Wavelength-Dependent Excited State Dissociation Pathways of para -Methylthiophenol

Zhang, Yuyuan, Oliver, Thomas A. A., Das, Saptaparna, Roy, Anirban, Ashfold, Michael N. R., Bradforth, Stephen E.

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 2.10 MB

english, 2013

40

CO 2 Vibrational State Distributions From Quasi-Classical Trajectory Studies of the HO + CO → H + CO 2 Reaction and H + CO 2 Inelastic Collision

Corchado, Jose C., Espinosa-Garcia, Joaquin, Li, Jun, Guo, Hua

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 1.37 MB

english, 2013

41

Spectroscopic and Theoretical Investigations of ThS and ThS +

Bartlett, Joshua H., Antonov, Ivan O., Heaven, Michael C.

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 1.17 MB

english, 2013

42

Coupled Unimolecular Dissociation Kinetics of Bromotoluene Radical Cations

Seo, Jongcheol, Kim, Seung-Joon, Shin, Seung Koo

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 1.29 MB

english, 2013

43

Full State-Resolved Energy Gain Profiles of CO 2 from Collisions with Highly Vibrationally Excited Molecules. II. Energy-Dependent Pyrazine ( E = 32 700 and 37 900 cm –1 ) Relaxation

Du, Juan, Sassin, Nicholas A., Havey, Daniel K., Hsu, Kailin, Mullin, Amy S.

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 2.35 MB

english, 2013

44

Excited-State Tautomerization of Gas-Phase Cytosine

Triandafillou, Catherine G., Matsika, Spiridoula

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 1.75 MB

english, 2013

45

Static Electric Dipole Polarizabilities of Tri- and Tetravalent U, Np, and Pu Ions

Parmar, Payal, Peterson, Kirk A., Clark, Aurora E.

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 310 KB

english, 2013

46

Quasiclassical Trajectory Study of CH 3 NO 2 Decomposition via Roaming Mediated Isomerization Using a Global Potential Energy Surface

Homayoon, Zahra, Bowman, Joel M

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 1.52 MB

english, 2013

47

Tribute to Curt Wittig

Reisler, Hanna, Bradforth, Stephen, Zhang, Jingsong

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 949 KB

english, 2013

48

A Classical Trajectory Study of the Dissociation and Isomerization of C 2 H 5

Wagner, Albert F., Rivera-Rivera, Luis A., Bachellerie, Damien, Perry, Jamin W., Thompson, Donald L.

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 3.25 MB

english, 2013

49

On the Photoionization Spectrum of Propyne: A Fully ab Initio Simulation of the Low-Energy Spectrum Including the Jahn–Teller Effect and the Spin–Orbit Interaction

Marquez, Sara, Dillon, Joseph, Yarkony, David R.

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 1.42 MB

english, 2013

50

Gas Phase Hydrolysis of Formaldehyde To Form Methanediol: Impact of Formic Acid Catalysis

Hazra, Montu K., Francisco, Joseph S., Sinha, Amitabha

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 800 KB

english, 2013

51

Photoelectron Angular Distributions of Pyridinide: A Benchmark Application of the Mixed s–p Model to a Truly Polyatomic Anion

Culberson, Lori Marie, Blackstone, Christopher Charles, Sanov, Andrei

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 1.46 MB

english, 2013

52

Molecular-Beam Optical Stark and Zeeman Study of the [17.8]0 + –X 1 Σ + (0,0) Band System of AuF

Steimle, Timothy C., Zhang, Ruohan, Qin, Chengbing, Varberg, Thomas D.

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 512 KB

english, 2013

53

Photodissociation Dynamics of the Thiophenoxy Radical at 248, 193, and 157 nm

Harrison, Aaron W., Lim, Jeong Sik, Ryazanov, Mikhail, Wang, Gregory, Gao, Shumin, Neumark, Daniel M.

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 2.15 MB

english, 2013

54

Mobility of Supercooled Liquid Toluene, Ethylbenzene, and Benzene near Their Glass Transition Temperatures Investigated Using Inert Gas Permeation

May, R. Alan, Smith, R. Scott, Kay, Bruce D.

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 1.35 MB

english, 2013

55

UV Photodissociation of Pyrroles: Symmetry and Substituent Effects

Karsili, Tolga N. V., Marchetti, Barbara, Moca, Roberta, Ashfold, Michael N. R.

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 2.91 MB

english, 2013

56

Experimental and Theoretical Investigation of Triple Fragmentation in the Photodissociation Dynamics of H 2 CO

Hobday, Nicholas, Quinn, Mitch S., Nauta, Klaas, Andrews, Duncan U., Jordan, Meredith J. T., Kable, Scott H.

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 1.92 MB

english, 2013

57

Photodissociation of Anisole and Absolute Photoionization Cross-Section of the Phenoxy Radical

Xu, Hong, Pratt, S. T.

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 801 KB

english, 2013

58

Infrared Photodissociation Spectroscopy of Saturated Group IV (Ti, Zr, Hf) Metal Carbonyl Cations

Brathwaite, A. D., Duncan, M. A.

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 2.14 MB

english, 2013

59

Accessing Multiple Conical Intersections in the 3s and 3p x Photodissociation of the Hydroxymethyl Radical

Rodrigo, Chirantha P., Zhou, Chuanchuan, Reisler, Hanna

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 1.90 MB

english, 2013

60

Publications of Curt Wittig

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 175 KB

english, 2013

61

Competition between Direct and Indirect Dissociation Pathways in Ultraviolet Photodissociation of HNCO

Yu, Shengrui, Su, Shu, Dorenkamp, Yvonne, Wodtke, Alec M., Dai, Dongxu, Yuan, Kaijun, Yang, Xueming

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 1.14 MB

english, 2013

62

Using Anisotropy Measurements from A-Band Photodissociation to Interrogate the Excited States of H 2 Se

Zhang, Xiaodong, Johnson, Michael, Koplitz, Brent

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 1.35 MB

english, 2013

63

Isomer-Specific Mass Spectrometric Detection Via “Semisoft” Strong-Field Ionization

Yan, Lu, Cudry, Fadia, Li, Wen, Suits, Arthur G.

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 672 KB

english, 2013

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