Volume 101; Issue 5

Journal of Physical Chemistry A

Volume 101; Issue 5

1

DMSO Solvent Induced Photochemistry in Highly Photostable Compounds. The Role of Intermolecular Hydrogen Bonding

McGarry, Peter F., Jockusch, Steffen, Fujiwara, Yoshihisa, Kaprinidis, Nikolas A., Turro, Nicholas J.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 205 KB

english, 1997

2

Cycloaddition Reactions of CF with Unsaturated Hydrocarbons. Correlation of Activation Energies and Frequency Factors with the Hydrocarbon Ionization Energies

De Boelpaep, Ilse, Vetters, Bart, Peeters, Jozef

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 165 KB

english, 1997

3

Local Softness as a Regioselectivity Indicator in [4+2] Cycloaddition Reactions

Damoun, S., Van de Woude, G., Méndez, F., Geerlings, P.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 163 KB

english, 1997

4

Comparison of an Electron−Atom-Scattering Description with Gas-Phase Scattering Data for He, Ne, Ar, Kr, and Xe

Frank, Douglas G., Hubbard, Arthur T.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 255 KB

english, 1997

5

Characterization of the Transient Species Formed during the Pulse Radiolysis of 3-Hexyn-1-ol and 5-Hexyn-1-ol in Aqueous Solutions

Naik, Devidas B., Dey, Ghasi Ram, Kishore, Kamal, Moorthy, Pervaje N.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 165 KB

english, 1997

6

Unimolecular Decomposition of the FCO Radical

Knyazev, Vadim D., Bencsura, Ákos, Slagle, Irene R.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 152 KB

english, 1997

7

Exotic Structures of Si 2 B 2 H 4

Jemmis, Eluvathingal D., Subramanian, Govindan, Korkin, Anatoli A., Hofmann, Matthias, Schleyer, Paul v. R.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 383 KB

english, 1997

8

Ab Initio Predictions of New Carbon Hypermagnesium Species: Mg 2 C and Mg 3 C

Boldyrev, Alexander I., Simons, Jack

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 129 KB

english, 1997

9

Reaction of Cyanomethylene with Nitric Oxide and Oxygen at 298 K: HCCN + NO, O 2

Adamson, J. D., DeSain, J. D., Curl, R. F., Glass, G. P.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 166 KB

english, 1997

10

Theoretical Studies of Hydrogen Abstraction from 2-Propanol by OH Radical

Luo, Ning, Kombo, David C., Osman, Roman

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 520 KB

english, 1997

11

Proton Transfer Dynamics of Norharman in Organic Solvents

Reyman, D., Viñas, M. H., Poyato, J. M. L., Pardo, A.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 191 KB

english, 1997

12

Reactions of Laser-Ablated Boron Atoms with Methylamines. Matrix Infrared Spectra and MP2 Frequency Calculations for Isotopic Product Molecules

Lanzisera, Dominick V., Andrews, Lester

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 209 KB

english, 1997

13

Reaction Probabilities for N 2 O 5 Hydrolysis on Sulfuric Acid and Ammonium Sulfate Aerosols at Room Temperature

Hu, J. H., Abbatt, J. P. D.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 263 KB

english, 1997

14

Simple Topological Estimation of the First Electronic Hyperpolarizability of Polymethine Compounds

Dekhtyar, M. L., Rozenbaum, V. M.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 173 KB

english, 1997

15

Conformational and Spectroscopic Analysis of Selected 2,2‘-Bithiophene Derivatives

Di Césare, Nicolas, Belletête, Michel, Raymond, François, Leclerc, Mario, Durocher, Gilles

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 362 KB

english, 1997

16

An ab Initio Study on Reactivity of Fluoroethane with Hydroxyl Radical: Application of G2 Theory

Sekušak, S., Güsten, H., Sabljić, A.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 60 KB

english, 1997

17

Energetics of Halogen Amine Reactions with Triplet Metastables: NFCl 2 with Ar( 3 P 0,2 ), He(2 3 S), and N 2 ( 3 Σ +u ) and NF 2 Cl and NCl 3 with Ar( 3 P 0,2 )

Gershanovich, Yevgeniya I., Gilbert, Julanna V.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 260 KB

english, 1997

18

Cation−Ether Complexes in the Gas Phase: Bond Dissociation Energies of Na + (dimethyl ether) x , x = 1−4; Na + (1,2-dimethoxyethane) x , x = 1 and 2; and Na + (12-crown-4)

More, Michelle B., Ray, Douglas, Armentrout, P. B.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 210 KB

english, 1997

19

Nature of Bonding in [3.1.1]Propellane. Vibrational Spectra and Normal Coordinate Analysis of 2,4-Methano-2,4-didehydroadamantane, 2,4-(Dimethylmethano)-2,4-didehydroadamantane, and Their Dihydro Congeners

Bistričić, Lahorija, Baranović, Goran, Šafar-Cvitaš, Dunja, Mlinarić-Majerski, Kata

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 413 KB

english, 1997

20

Factors That Influence the CN Stretching Frequency in Imines

Wang, Youliang, Poirier, Raymond A.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 129 KB

english, 1997

21

Multiphoton Ionization and Dissociation of Nitromethane Using Femtosecond Laser Pulses at 375 and 750 nm

Kilic, H. S., Ledingham, K. W. D., Kosmidis, C., McCanny, T., Singhal, R. P., Wang, S. L., Smith, D. J., Langley, A. J., Shaikh, W.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 176 KB

english, 1997

22

Theoretical Studies of Structural Effects on the Mechanism of Acyl-Transfer Reactions 1

Lee, Ikchoon, Lee, Doyoung, Kim, Chang Kon

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 341 KB

english, 1997

23

Theoretical Calculation of Thermochemistry for Molecules in the Si−P−H System

Zachariah, Michael R., Melius, Carl F.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 166 KB

english, 1997

24

Energetics of the Homolytic C−H and C−Cl Bond Cleavages in Polychlorobenzenes: The Role of Electronic and Steric Effects

Cioslowski, Jerzy, Liu, Guanghua, Moncrieff, David

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 103 KB

english, 1997

25

Monte Carlo Variational Transition-State Theory Study of the Unimolecular Dissociation of RDX

Shalashilin, Dmitrii V., Thompson, Donald L.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 274 KB

english, 1997

26

A Method for Separation of Homogeneous and Inhomogeneous Components of Spectral Broadening of Rigid Systems

Litvinyuk, Igor V.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 151 KB

english, 1997

27

Laser Flash Photolysis Study of the Reaction Mechanism in the Photochromism of 1-(Acyloxy)-2-methoxyanthraquinones

Gritsan, N. P., Kellmann, A., Tfibel, F., Klimenko, L. S.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 281 KB

english, 1997

28

Ab Initio Calculations on Normal Mode Vibrations and the Raman and IR Spectra of the [B 3 O 6 ] 3- Metaborate Ring

Wu, Kechen, Lee, Soo-Y.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 166 KB

english, 1997

29

Field-Optimized Initial State-Based Selective Control of IBr Photodissociation

Bairagi, Deepa B., Gross, Peter, Mishra, Manoj K.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 238 KB

english, 1997

30

Diffusion-Controlled Elementary Reactions in Tubular Confinement: Extreme Nonclassicality, Segregation, and Anomalous Scaling Laws for Dimensional Crossovers

Lin, Anna L., Kopelman, Raoul, Argyrakis, Panos

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 221 KB

english, 1997

31

Absorption Cross Sections and Self-Reaction Kinetics of the IO Radical

Harwood, Matthew H., Burkholder, James B., Hunter, Martin, Fox, R. W., Ravishankara, A. R.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 226 KB

english, 1997

32

Electrooptical Properties and Molecular Polarization of Iodine, I 2

Maroulis, George, Makris, Constantinos, Hohm, Uwe, Goebel, Dirk

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 138 KB

english, 1997