Volume 116; Issue 46

Journal of Physical Chemistry A

Volume 116; Issue 46

1

Photodissociation of N 2 O: Excitation of 1 A″ States

Schinke, Reinhard, Schmidt, Johan A.

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 288 KB

english, 2012

2

Vibronic Coupling Effects in Resonant Auger Spectra of H 2 O

Eroms, Matthis, Jungen, Martin, Meyer, Hans-Dieter

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 1.70 MB

english, 2012

3

Role of Rydberg States in the Photostability of Heterocyclic Dimers: The Case of Pyrazole Dimer

Zilberg, Shmuel, Haas, Yehuda

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 1.43 MB

english, 2012

4

Quantum Wave-Packet Dynamics in Spin-Coupled Vibronic States

Falge, Mirjam, Engel, Volker, Lein, Manfred, Vindel-Zandbergen, Patricia, Chang, Bo Y., Sola, Ignacio R.

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 1.08 MB

english, 2012

5

State-Selective Vibrational Excitation and Dissociation of H 2+ by Strong Infrared Laser Pulses: Below-Resonant versus Resonant Laser Fields and Electron–Field Following

Paramonov, Guennaddi K., Kühn, Oliver

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 1.37 MB

english, 2012

6

Control in a Dissipative Environment: The Example of a Cope Rearrangement

Chenel, A., Dive, G., Meier, C., Desouter-Lecomte, M.

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 1.31 MB

english, 2012

7

Translational Effects on Electronic and Nuclear Ring Currents

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 1.30 MB

english, 2012

8

High Fidelity Quantum Gates with Vibrational Qubits

Berrios, Eduardo, Gruebele, Martin, Shyshlov, Dmytro, Wang, Lei, Babikov, Dmitri

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 1.42 MB

english, 2012

9

Quasi-Classical Theory of Electronic Flux Density in Electronically Adiabatic Molecular Processes

Diestler, D. J.

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 1.08 MB

english, 2012

10

Effect of Nuclear Motion on Molecular High Order Harmonic Pump Probe Spectroscopy

Bredtmann, Timm, Chelkowski, Szczepan, Bandrauk, André D.

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 1.32 MB

english, 2012

11

Electron Mobilities of n-Type Organic Semiconductors from Time-Dependent Wavepacket Diffusion Method: Pentacenequinone Derivatives

Zhang, WeiWei, Zhong, XinXin, Zhao, Yi

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 1.78 MB

english, 2012

12

Relativistic Effects in Photon-Induced Near Field Electron Microscopy

Park, Sang Tae, Zewail, Ahmed H.

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 268 KB

english, 2012

13

Photoinduced Dynamics of Formic Acid Monomers and Dimers: The Role of the Double Hydrogen Bond

Novak, Jurica, Mališ, Momir, Prlj, Antonio, Ljubić, Ivan, Kühn, Oliver, Došlić, Nađa

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 463 KB

english, 2012

14

Electron Density Dynamics in the Electronic Ground State: Motion Along the Kekulé Mode of Benzene

Schild, Axel, Choudhary, Deepanshu, Sambre, Vaibhav D., Paulus, Beate

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 282 KB

english, 2012

15

Probing Ring Currents in Mg-Porphyrins by Pump–Probe Spectroscopy

Rodriguez, Justo J., Mukamel, Shaul

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 542 KB

english, 2012

16

Electronic Excited State Paths of Stone–Wales Rearrangement in Pyrene: Roles of Conical Intersections

Yamazaki, Kaoru, Niitsu, Naoyuki, Nakamura, Kosuke, Kanno, Manabu, Kono, Hirohiko

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 3.03 MB

english, 2012

17

UV Absorption Spectrum of Alternating DNA Duplexes. Analysis of Excitonic and Charge Transfer Interactions

Plasser, Felix, Aquino, Adelia J. A., Hase, William L., Lischka, Hans

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 1.78 MB

english, 2012

18

Pump–Probe Scheme To Study the Autoionization Decay of Optically-Forbidden H 2 Doubly Excited States

Rivière, P., Silva, R. E. F., Martín, F.

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 1.84 MB

english, 2012

19

Remarks on the Validity of the Fixed Nuclei Approximation in Quantum Electron Dynamics

Ulusoy, Inga S., Nest, Mathias

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 578 KB

english, 2012

20

Spin–Orbit Treatment of UV–vis Absorption Spectra and Photophysics of Rhenium(I) Carbonyl–Bipyridine Complexes: MS-CASPT2 and TD-DFT Analysis

Heydová, Radka, Gindensperger, Etienne, Romano, Roberta, Sýkora, Jan, Vlček, Antonín, Záliš, Stanislav, Daniel, Chantal

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 874 KB

english, 2012

21

Autobiography of Jörn Manz

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 183 KB

english, 2012

22

Semiclassical Hybrid Approach to Condensed Phase Molecular Dynamics: Application to the I 2 Kr 17 Cluster

Buchholz, Max, Goletz, Christoph-Marian, Grossmann, Frank, Schmidt, Burkhard, Heyda, Jan, Jungwirth, Pavel

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 1.53 MB

english, 2012

23

Laser-Polarization Effects on Coherent Vibronic Excitation of Molecules with Quasi-Degenerate Electronic States

Kanno, Manabu, Ono, Yukari, Kono, Hirohiko, Fujimura, Yuichi

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 3.13 MB

english, 2012

24

Rovibrational Dynamics of RbCs on its Lowest 1,3 Σ + Potential Curves Calculated by Coupled Cluster Method with All-Electron Basis Set

Yang, Yonggang, Liu, Xiaomeng, Zhao, Yanting, Xiao, Liantuan, Jia, Suotang

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 414 KB

english, 2012

25

Non-Resonant Dynamic Stark Control at a Conical Intersection: The Photodissociation of Ammonia

Richings, Gareth W., Worth, Graham A.

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 1.15 MB

english, 2012

26

Reduced and Exact Quantum Dynamics of the Vibrational Relaxation of a Molecular System Interacting with a Finite-Dimensional Bath

Bouakline, Foudhil, Lüder, Franziska, Martinazzo, Rocco, Saalfrank, Peter

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 963 KB

english, 2012

27

Ultrafast Predissociation Mechanism of the 1 Π u States of 14 N 2 and Its Isotopomers upon Attosecond Excitation from the Ground State

Muskatel, B. H., Remacle, F., Levine, R. D.

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 1.68 MB

english, 2012

28

Monosaccharide-Water Complexes: Vibrational Spectroscopy and Anharmonic Potentials

Jin, Lin, Simons, John P., Gerber, R. Benny

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 2.46 MB

english, 2012

29

Simulating a Molecular Machine in Action

Raeker, Tim, Carstensen, Niss Ole, Hartke, Bernd

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 1.13 MB

english, 2012

30

Hydrogen Bond Geometries and Proton Tautomerism of Homoconjugated Anions of Carboxylic Acids Studied via H/D Isotope Effects on 13 C NMR Chemical Shifts

Guo, Jing, Tolstoy, Peter M., Koeppe, Benjamin, Golubev, Nikolai S., Denisov, Gleb S., Smirnov, Sergei N., Limbach, Hans-Heinrich

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 747 KB

english, 2012

31

Publications of Jörn Manz

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 184 KB

english, 2012

32

Supramolecular Complex Coupled to a Metal Nanoparticle: Computational Studies on the Optical Absorption

Zelinskyy, Yaroslav, Zhang, Yuan, May, Volkhard

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 1.65 MB

english, 2012

33

Compact MCTDH Wave Functions for High-Dimensional System-Bath Quantum Dynamics

Bonfanti, M., Tantardini, G. F., Hughes, K. H., Martinazzo, R., Burghardt, I.

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 1.29 MB

english, 2012

34

Tribute to Jörn Manz

González, Leticia, Kühn, Oliver, Saalfrank, Peter

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 688 KB

english, 2012

35

Vibrational Dynamics of the CH 4 ·F – Complex

Wodraszka, Robert, Palma, Juliana, Manthe, Uwe

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 1.32 MB

english, 2012

36

Optimal White Light Control of the Negative to Neutral to Positive Charge Transition (NeNePo) in the Electronic Manifold of the Silver Trimer

Schmidt, B. E., Gause, O., Hagemann, F., Li, S., Unrau, W., Wöste, L., Siebert, T.

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 2.39 MB

english, 2012

37

Early-Stage Dynamics in Coupled Proton–Electron Transfer from the π–π* State of Phenol to Solvent Ammonia Clusters: A Nonadiabatic Electron Dynamics Study

Nagashima, Kengo, Takatsuka, Kazuo

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 2.34 MB

english, 2012

38

List of Colleagues, Coauthors and Coworkers of Jörn Manz

Journal:

Journal of Physical Chemistry A

Year:

2012

File:

PDF, 258 KB

2012

39

IR Spectrum of FHF – and FDF – Revisited Using a Spectral Method in Four Dimensions

Pérez-Hernández, Guillermo, González-Vázquez, Jesús, González, Leticia

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 1.55 MB

english, 2012

40

Curriculum Vitae of Jörn Manz

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 117 KB

english, 2012

41

Pyridinylidene-Phenoxide in Strong Electric Fields: Controlling Orientation, Conical Intersection, and Radiation-Less Decay

Belz, S., Zilberg, S., Berg, M., Grohmann, T., Leibscher, M.

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 1.27 MB

english, 2012

42

Application of Heisenberg’s S Matrix Program to the Angular Scattering of the H + D 2 ( v i = 0, j i = 0) → HD( v f = 3, j f = 0) + D Reaction: Piecewise S Matrix Elements Using Linear, Quadratic, Step-Function, and Top-Hat Parametrizations

Shan, Xiao, Connor, J. N. L.

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 2.10 MB

english, 2012

43

Control of Nuclear Dynamics with Strong Ultrashort Laser Pulses

Geißler, Dominik, Marquetand, Philipp, González-Vázquez, Jesús, González, Leticia, Rozgonyi, Tamás, Weinacht, Thomas

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 1.10 MB

english, 2012

44

Harmonic Bath Averaged Hamiltonian: An efficient Tool To Capture Quantum Effects of Large Systems

Yang, Yonggang, Liu, Xiaomeng, Meuwly, Markus, Xiao, Liantuan, Jia, Suotang

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 395 KB

english, 2012

45

New Insight into CO Photodesorption from C 60

Mitschker, Jan, Klüner, Thorsten

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 2.97 MB

english, 2012

46

Buildup and Decay of the Optical Absorption in the Ultrafast Photo-Generation and Reaction of Benzhydryl Cations in Solution

Fingerhut, Benjamin P., Sailer, Christian F., Ammer, Johannes, Riedle, Eberhard, de Vivie-Riedle, Regina

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 3.30 MB

english, 2012

47

NMR Studies of Solid Pentachlorophenol-4-Methylpyridine Complexes Exhibiting Strong OHN Hydrogen Bonds: Geometric H/D Isotope Effects and Hydrogen Bond Coupling Cause Isotopic Polymorphism

Ip, Brenda C. K., Shenderovich, Ilya G., Tolstoy, Peter M., Frydel, Jaroslaw, Denisov, Gleb S., Buntkowsky, Gerd, Limbach, Hans-Heinrich

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 2.08 MB

english, 2012

48

Quantum Chemical Parametrization and Spectroscopic Characterization of the Frenkel Exciton Hamiltonian for a J-Aggregate Forming Perylene Bisimide Dye

Ambrosek, D., Köhn, A., Schulze, J., Kühn, O.

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 2.03 MB

english, 2012

49

Selective Probing of Vibrational Hot States in Bromine Using Time-Resolved Coherent Anti-Stokes Raman Scattering

Namboodiri, Mahesh, Liebers, Jörg, Kleinekathöfer, Ulrich, Materny, Arnulf

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 973 KB

english, 2012

50

Optimal Control Simulation of Field-Free Molecular Orientation: Alignment-Enhanced Molecular Orientation

Nakajima, Katsuhiro, Abe, Hiroya, Ohtsuki, Yukiyoshi

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 1.85 MB

english, 2012

51

Issue Publication Information

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 138 KB

english, 2012

52

Issue Editorial Masthead

Journal:

Journal of Physical Chemistry A

Year:

2012

File:

PDF, 107 KB

2012

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