Volume 105; Issue 11

Journal of Physical Chemistry A

Volume 105; Issue 11

1

Potential Energy Surfaces for F−H2 and Cl−H2: Long-Range Interactions and Nonadiabatic Couplings†

Aquilanti, Vincenzo, Cavalli, Simonetta, Pirani, Fernando, Volpi, Alessandro, Cappelletti, David

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 150 KB

english, 2001

2

On the Quenching of Rovibrationally Excited Molecular Oxygen at Ultracold Temperatures †

Balakrishnan, N., Dalgarno, A.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 52 KB

english, 2001

3

Time-Dependent Quantum Mechanical Calculations on the Formation of Molecular Hydrogen on a Graphite Surface via an Eley−Rideal Mechanism †

Meijer, Anthony J. H. M., Farebrother, Adam J., Clary, David C., Fisher, Andrew J.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 317 KB

english, 2001

4

An Interpolated ab Initio Quantum Scattering Study of the Temperature Dependence of the CH 3 + HBr → CH 4 + Br Reaction †

Yu, Hua-Gen, Nyman, Gunnar

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 85 KB

english, 2001

5

Branching Ratio and Pressure Dependent Rate Constants of Multichannel Unimolecular Decomposition of Gas-Phase α-HMX: An Ab Initio Dynamics Study †

Zhang, Shaowen, Truong, Thanh N.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 115 KB

english, 2001

6

Coriolis-Coupled Quantum Dynamics for O( 1 D) + H 2 → OH + H †

Carroll, Thomas E., Goldfield, Evelyn M.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 105 KB

english, 2001

7

Equal Thermodynamic Distance and Equipartition of Forces Principles Applied to Binary Distillation †

Sauar, Erik, Siragusa, Gino, Andresen, Bjarne

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 106 KB

english, 2001

8

Geometry, Energy, and Vibrational Frequencies of the Bis(dicyanomethylene)squarilium Dianion †

Lunelli, Bruno, Monari, Magda, Bottoni, Andrea

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 95 KB

english, 2001

9

Quantum Mechanical Calculation of Reaction Probabilities and Branching Ratios for the O( 1 D) + HD → OH(OD) + D(H) Reaction on the X̃ 1 A ‘ and 1 1 A ‘ ‘ Adiabatic Potential Energy Surfaces †

Hankel, Marlies, Balint-Kurti, Gabriel G., Gray, Stephen K.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 118 KB

english, 2001

10

Colleagues of Aron Kuppermann †

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 4 KB

english, 2001

11

A Mechanical Analogue of Monotropism: Ordering of an Ensemble of Hemispheres †

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 49 KB

english, 2001

12

Photochemical Generation of Methane within NO−Ethene Heteroclusters †

DeLeon, Robert L., Rexer, Eric F., Garvey, James F.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 55 KB

english, 2001

13

Adsorbate Vibrational Effects on the Photodesorption of CO from Cu(001) †

Micha, D. A., Santana, A.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 70 KB

english, 2001

14

Publications of Aron Kuppermann †

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 42 KB

english, 2001

15

Quantum Mechanical Studies on the BrO + ClO Reaction †

Papayannis, Demetrios K., Kosmas, Agnie M., Melissas, Vasilios S.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 72 KB

english, 2001

16

Transition Moments between w 3 Π g State and the First Three 3 Σ u and 3 Π u States of the Hydrogen Molecule †

Staszewska, Grażyna

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 49 KB

english, 2001

17

High Resolution Pulsed Field Ionization−Photoelectron Bands for CS 2+ ( Ã 2 Π u ): An Experimental and Theoretical Study †

Liu, Jianbo, Hochlaf, M., Chambaud, G., Rosmus, P., Ng, C. Y.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 138 KB

english, 2001

18

Photodissociation Dynamics of tert -Butyl Nitrite on Ag(111): Characterization of Translationally and Internally Excited NO Fragments †

Zhao, W., Kim, C., White, J. M., Kim, S. K.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 103 KB

english, 2001

19

Production and Study of Triply Charged Diatomic Ions with Femtosecond Pulses: Application to †

Verver, R. J., Matusek, D. R., Wright, J. S., Gibson, G. N., Bhardwaj, R., Aseyev, S., Villeneuve, D. M., Corkum, P. B., Ivanov, M. Yu.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 127 KB

english, 2001

20

Self-Assessment of Scientific Contributions of Aron Kuppermann †

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 26 KB

english, 2001

21

Do Nitrogen-Atom-Containing Endohedral Fullerenes Undergo the Shrink-Wrap Mechanism? †

Cao, Baopeng, Peres, Tikva, Cross,, R. James, Saunders, Martin, Lifshitz, Chava

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 74 KB

english, 2001

22

Above-Threshold Effects in the Photodissociation and Photoionization of Iodobenzene †

Unny, Sujatha, Du, Yan, Zhu, Langchi, Truhins, Kaspars, Gordon, Robert J., Sugita, Akihiro, Kawasaki, Masahiro, Matsumi, Y., Delmdahl, Ralph, Parker, David H., Berces, Attila

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 284 KB

english, 2001

23

Possible Mechanism of OH Frequency Shift Dynamics in Water †

Georgievskii, Yuri, Marcus, R. A.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 36 KB

english, 2001

24

Li + HF: A Case Study to Develop Novel Computational Technologies for Reactive Scattering †

Laganà, Antonio, Crocchianti, Stefano

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 135 KB

english, 2001

25

Application of Quantum-Dressed Classical Mechanics: Molecule Surface Scattering †

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 88 KB

english, 2001

26

Quasi-Classical Trajectory Studies of the Insertion Reactions S( 1 D) + H 2 , HD, and D 2†

Chao, Sheng Der, Skodje, Rex T.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 275 KB

english, 2001

27

Absorption Spectra of Trapped Electrons in Nonpolar Glasses: Oscillator Strengths and Threshold Behaviors †

McGrane, S. D., Lipsky, S.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 76 KB

english, 2001

28

Collision-Induced Dissociation and Theoretical Studies of Cu + −Dimethyl Ether Complexes †

Koizumi, Hideya, Zhang, Xiao-Guang, Armentrout, P. B.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 107 KB

english, 2001

29

Trajectory Investigations of the Dissociation Dynamics of Vinyl Bromide on an ab Initio Potential-Energy Surface

Rahaman, Asif, Raff, Lionel M.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 221 KB

english, 2001

30

Beyond the Potential Energy Surface: Ab initio Corrections to the Born−Oppenheimer Approximation for H 2 O †

Schwenke, David W.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 90 KB

english, 2001

31

Ab Initio Direct Dynamics Study of OOH + H → H 2 + 3 O 2†

Thurman, Glenn M., Steckler, Rozeanne

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 60 KB

english, 2001

32

Reactive Scattering Dynamics on Conically Intersecting Potential Energy Surfaces: The H + H 2 Exchange Reaction †

Mahapatra, Susanta, Köppel, Horst, Cederbaum, Lorenz S.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 107 KB

english, 2001

33

Tribute to Aron Kuppermann †

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 37 KB

english, 2001

34

Theoretical Modeling of the Hydrogen Abstraction Reaction of Fluoromethane by the Hydroxyl Radical †

Lien, Pei-Yin, You, Ru-Min, Hu, Wei-Ping

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 98 KB

english, 2001

35

Calculation of the Raman Spectrum of Photodissociating H 2 S around 195 nm †

Skouteris, Dimitris, Hartke, Bernd, Werner, Hans-Joachim

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 192 KB

english, 2001

36

Distribution of Rovibrational Product States for the “Prompt” Reaction H + D 2 ( v = 0, j = 0−4) → HD( v ‘ = 1,2, j ‘) + D near 1.6 eV Collision Energy †

Bean, Brian D., Fernández-Alonso, Félix, Zare, Richard N.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 83 KB

english, 2001

37

Electron-Impact Spectroscopy Investigation of Diketene †

Xavier,, I. M., Walzl, K. N., Giorgi, M. R.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 42 KB

english, 2001

38

Dynamics of the N( 2 D) + D 2 Reaction from Crossed-Beam and Quasiclassical Trajectory Studies †

Balucani, Nadia, Alagia, Michele, Cartechini, Laura, Casavecchia, Piergiorgio, Volpi, Gian Gualberto, Pederson, Lisa A., Schatz, George C.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 133 KB

english, 2001

39

Theoretical Investigations of Intramolecular Energy Transfer Rates and Pathways for Vinyl Bromide on an ab Initio Potential-Energy Surface

Rahaman, Asif, Raff, Lionel M.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 125 KB

english, 2001

40

Thermal and State-Selected Rate Coefficients for the O( 3 P) + HCl Reaction and New Calculations of the Barrier Height and Width †

Skokov, Sergei, Zou, Shengli, Bowman, Joel M., Allison, Thomas C., Truhlar, Donald G., Lin, Yongjing, Ramachandran, B., Garrett, Bruce C., Lynch, Benjamin J.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 107 KB

english, 2001

41

Vibrational Calculations for the HD 2 First-Excited Electronic State Using a Coordinate-Transformation Technique †

Xu, Z. R., Varandas, A. J. C.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 52 KB

english, 2001

42

Adiabatic Rotation, Centrifugal Sudden, and Exact Calculations of Rotationally Mediated Fermi Resonances in HOCl †

Zou, Shengli, Skokov, Sergei, Bowman, Joel M.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 52 KB

english, 2001

43

Dynamics of Dissociative Recombination of Molecular Ions: Three-Body Breakup of Triatomic Di-Hydrides †

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 93 KB

english, 2001

44

On the Conical Intersection and the Possibility of a New Assignment for Molecular Systems †

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 110 KB

english, 2001

45

Mechanistic and Energetic Details of Adduct Formation and σ-Bond Activation in Zr + (H 2 ) n Clusters †

Bushnell, John E., Kemper, Paul R., van Koppen, Petra, Bowers, Michael T.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 147 KB

english, 2001

46

Autobiographical Notes of Aron Kuppermann †

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 21 KB

english, 2001

47

A Quasiclassical Trajectory Study of the Cl + HCN → HCl + CN Reaction Dynamics. Microscopic Reaction Mechanism of the H(Cl) + HCN → H 2 (HCl) + CN Reactions †

Troya, Diego, González, Miguel, Wu, Guosheng, Schatz, George C.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 142 KB

english, 2001

48

Substituent Effects in the Binding of Alkali Metal Ions to Pyridines, Studied by Threshold Collision-Induced Dissociation and ab Initio Theory: The Methylpyridines †

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 122 KB

english, 2001

49

Anharmonic Semiclassical Variational Transition-State Theory Rate Constant Model for H Atom Association with Different Sites on the Diamond {111} Surface †

Song, Kihyung, Hase, William L.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 97 KB

english, 2001