Volume 105; Issue 31

Journal of Physical Chemistry A

Volume 105; Issue 31

1

Mechanism of Collisional Heating in Electrospray Mass Spectrometry: Ion Trajectory Calculations

Hoxha, A., Collette, C., De Pauw, E., Leyh, B.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 100 KB

english, 2001

2

Ab Initio Study of Energetics of Cationic Heteroconjugation in Pyridine N -Oxide and Its Derivatives Systems

Makowski, Mariusz, Tomaszewski, Rafal, Kozak, Anna, Chmurzynski, Lech

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 164 KB

english, 2001

3

Energetics of Aluminum Combustion

Politzer, Peter, Lane, Pat, Grice, M. Edward

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 85 KB

english, 2001

4

Cooperative Interactions of Unlike Macromolecules: 3. NMR and Theoretical Study of the Electrostatic Coupling of Sodium Polyphosphates with Diallyl(dimethyl)ammonium Chloride−Acrylamide Copolymers

Kříž, Jaroslav, Dybal, Jiří, Dautzenberg, Herbert

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 233 KB

english, 2001

5

Stabilization of Hydrate Structure H by N 2 and CH 4 Molecules in 4 3 5 6 6 3 and 5 12 Cavities, and Fused Structure Formation with 5 12 6 8 Cage: A Theoretical Study

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 135 KB

english, 2001

6

Information Theory Thermodynamics of Molecules and Their Hirshfeld Fragments

Nalewajski, Roman F., Parr, Robert G.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 97 KB

english, 2001

7

Dynamics Study of the OH + O 2 Branching Atmospheric Reaction. 3. Dissociation in Collisions of Vibrationally Excited Reactants

Caridade, P. J. S. B., Betancourt, M., Garrido, J. D., Varandas, A. J. C.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 76 KB

english, 2001

8

Phase Synchronization of Nonidentical Light-Sensitive Belousov−Zhabotinsky Systems Induced by Variability in a High−Low Illumination Program

Roussel, Marc R., Wang, Jichang

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 301 KB

english, 2001

9

Cluster Analysis of 13 C Chemical Shift Tensor Principal Values in Polycyclic Aromatic Hydrocarbons

Facelli, Julio C., Nakagawa, Bret K., Orendt, Anita M., Pugmire, Ronald J.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 56 KB

english, 2001

10

Aluminum (III) Interactions with Sulfur-Containing Amino Acid Chains

Mercero, Jose M., Irigoras, Arantxa, Lopez, Xabier, Fowler, Joseph E., Ugalde, Jesus M.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 153 KB

english, 2001

11

Quantum Mechanical Studies of Pressure Effects in Crystalline Ammonium Dinitramide

Sorescu, Dan C., Thompson, Donald L.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 1.39 MB

english, 2001

12

Photoinduced Electron-Transfer from Mono-/Oligo-1,4-phenylenevinylenes Containing Aromatic Amines to C 60 /C 70 and Electron-Mediating Process to Viologen Dication in Polar Solution

Onodera, Hitoshi, Araki, Yasuyuki, Fujitsuka, Mamoru, Onodera, Shinji, Ito, Osamu, Bai, Fenglian, Zheng, Min, Yang, Jun-Lin

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 164 KB

english, 2001

13

Propagation of 3D Wave Packets for Nonzero Total Angular Momentum Using the Split Operator Method †

Barinovs, Ǧirts, Marković, Nikola, Nyman, Gunnar

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 50 KB

english, 2001

14

A Linear Chemical Cycle and Oscillations

Suzuki, Jun, Morita, Akio

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 60 KB

english, 2001

15

Simulation Studies of Proton Transfer in N 2 H 7+ Cluster by Classical ab Initio Monte Carlo and Quantum Wave Packet Dynamics

Asada, Toshio, Haraguchi, Haruya, Kitaura, Kazuo

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 93 KB

english, 2001

16

Excimer and Exciplex Formation in van der Waals Dimers of Toluene and Benzene

Saigusa, Hiroyuki, Morohoshi, Mika, Tsuchiya, Soji

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 108 KB

english, 2001

17

Accurate Density Functional Calculations of Core Electron Binding Energies on Hydrogen-Bonded Systems

Aplincourt, Philippe, Bureau, Christophe, Anthoine, Jean-Luc, Chong, Delano P.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 104 KB

english, 2001

18

Theoretical Study of the Reaction Mechanism of Fe Atoms with H 2 O, H 2 S, O 2 and H +

Mebel, Alexander M., Hwang, Der-Yan

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 101 KB

english, 2001

19

Mechanisms of in Situ Scanning Tunnelling Microscopy of Organized Redox Molecular Assemblies.

Kuznetsov, Alexander M., Ulstrup, Jens

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 8 KB

english, 2001

20

Disilane Internal Rotation

Pophristic, Vojislava, Goodman, Lionel, Wu, Cheryl T.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 87 KB

english, 2001

21

Electrochemical Waves on Patterned Surfaces: Propagation through Narrow Gaps and Channels

Agladze, Konstantin, Thouvenel-Romans, Stephanie, Steinbock, Oliver

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 410 KB

english, 2001

22

Methyl Group Rotation and 1 H and 2 H Zeeman Relaxation in Organic Solids

Beckmann, Peter A., Dybowski, Cecil, Gaffney, Edward J., Mallory, Clelia W., Mallory, Frank B.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 76 KB

english, 2001

23

Charge Density and Topological Analysis of Pentafluorobenzoic Acid

Bach, Ansgar, Lentz, Dieter, Luger, Peter

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 505 KB

english, 2001

24

Bond Dissociation Energies of CF 3 -X Bonds (X = C, O, N, S, Br): Ab Initio Molecular Orbital Calculation and Application to Evaluation of Fire Suppression Ability

Fukaya, Haruhiko, Ono, Taizo, Abe, Takashi

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 61 KB

english, 2001

25

Hydrogen Bond vs Proton Transfer between Neutral Molecules in the Gas Phase

Alkorta, Ibon, Rozas, Isabel, Mó, Otilia, Yáñez, Manuel, Elguero, José

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 54 KB

english, 2001