Volume 103; Issue 45

Journal of Physical Chemistry A

Volume 103; Issue 45

1

Structure, Conformational Equilibrium, and Proton Affinity of Calix[4]arene by Density Functional Theory

Bernardino, R. J., Cabral, B. J. Costa

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 559 KB

english, 1999

2

A Theoretical Investigation of Benzene−AlX3 and Ethene−AlX3 (X = H, F, Cl) Interactions

Tarakeshwar, P., Kim, Kwang S.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 135 KB

english, 1999

3

Second-Order Møller−Plesset Analytical Derivatives for the Polarizable Continuum Model Using the Relaxed Density Approach

Cammi, Roberto, Mennucci, Benedetta, Tomasi, Jacopo

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 110 KB

english, 1999

4

Isotope Shifts and Intersystem Crossing for Pentacene in p -Terphenyl. A Model System for Single-Molecule Dynamics

Brouwer, A. C. J., Groenen, E. J. J., van Hemert, M. C., Schmidt, J.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 125 KB

english, 1999

5

Kinetics of Metallocarbohedrenes: An FT-ICR Mass Spectrometry Study of the Association Reactions of Ti 8 C 12+ with Polar and Nonpolar Molecules

Auberry, Ken J., Byun, Yong Gwan, Jacobson, Denley B., Freiser, Ben S.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 190 KB

english, 1999

6

Fourier Transform Ultraviolet Spectroscopy of the A 2 Π 3/2 ← X 2 Π 3/2 Transition of BrO †

Wilmouth, David M., Hanisco, Thomas F., Donahue, Neil M., Anderson, James G.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 338 KB

english, 1999

7

Assignment of the B̃ + State of the Chlorobenzene Cation Using Photoinduced Rydberg Ionization (PIRI) Spectroscopy

Anand, R., Hofstein, J. D., LeClaire, J. E., Johnson, P. M., Cossart-Magos, C.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 118 KB

english, 1999

8

Isotope and Temperature Dependence of Dual Emission in a Mononuclear Ruthenium(II) Polypyridyl Compound

Keyes, Tia E., O'Connor, Christine M., O'Dwyer, Una, Coates, Colin G., Callaghan, Philip, McGarvey, John J., Vos, Johannes G.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 84 KB

english, 1999

9

Quantum Studies of Acetylene Adsorption on Ice Surface

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 48 KB

english, 1999

10

Barrierless Isomerization Dynamics in Viscous Liquids: Decoupling of the Reaction Rate from the Slow Frictional Forces

Denny, R. Aldrin, Bagchi, Biman

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 143 KB

english, 1999

11

Phase Transitions in Aqueous NH 4 HSO 4 Solutions

Koop, Thomas, Bertram, Allan K., Molina, Luisa T., Molina, Mario J.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 101 KB

english, 1999

12

MC/MO Study of the Electronic Structure and Hyperfine Coupling Constant of the Nitrogen of the (CH 3 ) 2 NO Radical in Hydrogen-Bonding and Non-Hydrogen-Bonding Solvents

Yagi, Toru, Kikuchi, Osamu

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 123 KB

english, 1999

13

Inversion Motion and S 1 Equilibrium Geometry of 4-Fluoroaniline: Molecular Beam High-Resolution Spectroscopy and ab Initio Calculations

Becucci, M., Castellucci, E., López-Tocón, I., Pietraperzia, G., Salvi, P. R., Caminati, W.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 72 KB

english, 1999

14

Structure and Nature of the Interaction of the CH 3 N 2+ Ion Shellvated by H 2 Molecules: CH 3 N 2+ (H 2 ) n =1-9

Gora, Robert W., Roszak, Szczepan, Leszczynski, Jerzy

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 120 KB

english, 1999

15

Spectral Characterization, Photophysics, and Photochemistry of the Four Stereoisomers of 1-(2-anthryl)-4-phenyl-1,3-butadiene

Spalletti, A., Bartocci, G., Galiazzo, G., Macchioni, A., Mazzucato, U.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 127 KB

english, 1999

16

Photochemistry of HNCO in Solid Xe: Channels of UV Photolysis and Creation of H 2 NCO Radicals

Pettersson, Mika, Khriachtchev, Leonid, Jolkkonen, Santtu, Räsänen, Markku

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 104 KB

english, 1999

17

Theoretical Study of the Reaction of S + with C 3 H 2

Redondo, Pilar, Calleja, Elena, Barrientos, Carmen, Largo, Antonio

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 103 KB

english, 1999

18

Structures and Stabilities for Halides and Oxides of Transactinide Elements Rf, Db, and Sg Calculated by Relativistic Effective Core Potential Methods

Han, Young-Kyu, Son, Sang-Kil, Choi, Yoon Jeong, Lee, Yoon Sup

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 58 KB

english, 1999

19

Time-Resolved Raman Study of the Oxidation Mechanism of Aromatic Diamines by • OH Radical in Water

Tripathi, G. N. R., Sun, Q.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 86 KB

english, 1999

20

A Computational Study on the Mechanism and Kinetics of the Pyrolysis of 2-Nitrophenyl Azide

Rauhut, Guntram, Eckert, Frank

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 118 KB

english, 1999

21

Experimental and Theoretical Studies of the C 6 H 5 + C 6 H 6 Reaction

Park, J., Burova, S., Rodgers, A. S., Lin, M. C.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 101 KB

english, 1999

22

Electronic Structure Measurements of Oxidized Flavins and Flavin Complexes Using Stark-Effect Spectroscopy

Stanley, Robert J., Jang, Haishan

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 157 KB

english, 1999

23

Spectroscopic Properties of Al 2 P 2 , Al 2 P 2+ , and Al 2 P 2- and Comparison with Their Ga and In Analogues

Feng, Ping Yi, Balasubramanian, K.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 64 KB

english, 1999

24

Two-Photon Spectra of Stiff Stilbenes: A Contribution to the Assignment of the Low Lying Electronically Excited States of the Stilbene System

Hohlneicher, Georg, Wrzal, Ralph, Lenoir, Dieter, Frank, Rudolf

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 104 KB

english, 1999

25

Formation of OH Radicals in the Gas-Phase Reaction of Propene, Isobutene, and Isoprene with O 3 : Yields and Mechanistic Implications

Neeb, Peter, Moortgat, Geert K.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 128 KB

english, 1999

26

Theoretical Interpretation of the Photoelectron Spectra of Al 3 O 2- and Al 3 O 3-

Ghanty, Tapan K., Davidson, Ernest R.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 181 KB

english, 1999

27

High Pressure Raman Spectroscopy of Nitric Acid

Lucas, Hervé, Petitet, Jean-Pierre

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 114 KB

english, 1999

28

Characterization of Mo(CO) 6 by 95 Mo Single-Crystal NMR Spectroscopy

Vosegaard, Thomas, Skibsted, Jørgen, Jakobsen, Hans J.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 112 KB

english, 1999

29

Observation of Electron Bubbles in para-H 2 −D 2 (HD) Mixtures by High-Resolution ESR Spectroscopy

Kumada, Takayuki, Mori, Shoji, Kumagai, Jun, Aratono, Yasuyuki, Miyazaki, Tetsuo

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 40 KB

english, 1999

30

Photolysis of Matrix-Isolated Allenylketene: An Experimental and Theoretical Study of the Allenylcarbene Reactivity

Aycard, Jean-Pierre, Allouche, Alain, Cossu, Michèle, Hillebrand, Mihaela

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 178 KB

english, 1999

31

Temperature-Dependent Ways of Proton TransferA Benchmark Study on Cyclic HF Oligomers

Loerting, Thomas, Liedl, Klaus R.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 92 KB

english, 1999

32

Ab Initio and Kinetic Calculations for the Reactions of NH(X 3 Σ - ) with CH x F 4- x and CD x F 4- x ( x = 1, 2, 3, 4)

Wang, Baoshan, Hou, Hua, Gu, Yueshu

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 128 KB

english, 1999

33

Pyramidal Structures of Lanthanide−C 60 Clusters (Ln n (C 60 ) m : Ln = Eu and Ho)

Nagao, Satoshi, Negishi, Yuichi, Kato, Akiko, Nakamura, Yoshiaki, Nakajima, Atsushi, Kaya, Koji

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 158 KB

english, 1999

34

Electron Affinity, Gas-Phase Acidity, Bond Dissociation Energy, and Negative Ion States of Nitromethane

Chen, Edward C. M., Welk, Natalie, Chen, Edward S., Wentworth, W. E.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 90 KB

english, 1999

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