Volume 103; Issue 20

Journal of Physical Chemistry A

Volume 103; Issue 20

1

A Systematic Application of Density Functional Theory to Some Carbon-Containing Molecules and Their Anions

Brown, Shawn T., Rienstra-Kiracofe, Jonathan C., Schaefer, Henry F.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 153 KB

english, 1999

2

Mechanistic and Spatial Study of Ultrasonically Induced Luminol Chemiluminescence

McMurray, H. N., Wilson, B. P.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 188 KB

english, 1999

3

New Assignment of the Electronically Excited States of Anthracene-9,10-endoperoxide and Its Derivatives: A Critical Experimental and Theoretical Study †

Klein, Andreas, Kalb, Martin, Gudipati, Murthy S.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 183 KB

english, 1999

4

Effects of Molecular Structure and Hydrogen Bonding on the Radiationless Deactivation of Singlet Excited Fluorenone Derivatives †

Biczók, László, Bérces, Tibor, Inoue, Haruo

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 86 KB

english, 1999

5

A New Mechanism for the Reaction of Carbenes with OH Groups

Pliego, Josefredo R., De Almeida, Wagner B.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 71 KB

english, 1999

6

Theoretical Study of the Mechanisms for the Alkoxyacetic Acids Decomposition

Domingo, Luis R., Picher, María T., Safont, Vicent S., Andrés, Juan, Chuchani, Gabriel

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 178 KB

english, 1999

7

Distance Measurements in Multiply Labeled Crystalline Cytidines by Dipolar Recoupling Solid State NMR

Kiihne, S. R., Geahigan, K. B., Oyler, N. A., Zebroski, H., Mehta, M. A., Drobny, G. P.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 296 KB

english, 1999

8

Incorporation of Non-Steady-State Unimolecular and Chemically Activated Kinetics into Complex Kinetic Schemes. 1. Isothermal Kinetics at Constant Pressure

Knyazev, Vadim D., Tsang, Wing

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 137 KB

english, 1999

9

Microwave Spectrum and Structure of the Acetylene−OCS Dimer

Peebles, Sean A., Kuczkowski, Robert L.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 64 KB

english, 1999

10

Multiphoton Reduction of Eu 3+ to Eu 2+ in Methanol Using Intense, Short Pulses from a Ti:Sapphire Laser

Nakashima, Nobuaki, Nakamura, Shin-ichi, Sakabe, Shuji, Schillinger, Helmut, Hamanaka, Yasushi, Yamanaka, Chiyoe, Kusaba, Mitsuhiro, Ishihara, Nobuo, Izawa, Yasukazu

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 141 KB

english, 1999

11

InOH: A Quantum Chemical Study

Arulmozhiraja, Sundaram, Fujii, Toshihiro, Tokiwa, Hiroaki

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 67 KB

english, 1999

12

A Diode Laser and Modeling Study of Mixed (CH 4 −H 2 −O 2 ) AC Plasmas

Fan, W. Y., Knewstubb, P. F., Käning, M., Mechold, L., Röpcke, J., Davies, P. B.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 143 KB

english, 1999

13

Computational Estimates of the Gas-Phase Basicity and Proton Affinity of Glutamic Acid

Sun, Wei, Kinsel, Gary R., Marynick, Dennis S.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 94 KB

english, 1999

14

Intermolecular Interactions in Conjugated Oligothiophenes. 3. Optical and Photophysical Properties of Quaterthiophene and Substituted Quaterthiophenes in Various Environments

DiCésare, Nicolas, Belletête, Michel, Garcia, Ernesto Rivera, Leclerc, Mario, Durocher, Gilles

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 154 KB

english, 1999

15

Mechanisms of Formation and Dissociation of a Cesium−Calix[4]arene Acetamide Complex in Solution: A Cs-133 Dynamic NMR Study

Meier, Urs C., Detellier, Christian

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 70 KB

english, 1999

16

Quantification of Turbulence in the Belousov−Zhabotinsky Reaction by Monitoring Wave Tips

Woltering, Matthias, Girnus, Ralf, Markus, Mario

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 167 KB

english, 1999

17

Simple Approximation of Core-Correlation Effects on Binding Energies

Fast, Patton L., Truhlar, Donald G.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 18 KB

english, 1999

18

Optically Induced Second Harmonic Generation by Six-wave Mixing: A Novel Probe of Solute Orientational Dynamics

Lin, Shujie, Hands, Ian D., Andrews, David L., Meech, Stephen R.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 87 KB

english, 1999

19

Binding Energy of F(H 2 O) - and the Simulation of Fluoride Water Clusters Using a Hybrid QM/MM (Fluctuating Charge) Potential

Bryce, Richard A., Vincent, Mark A., Hillier, Ian H.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 86 KB

english, 1999

20

Low-Pressure Study of the Reactions of Br Atoms with Alkenes. 2. Reactions with Ethene and trans -2-Butene

Bedjanian, Yuri, Poulet, Gilles, Bras, Georges Le

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 109 KB

english, 1999

21

Density Functional Theory Analysis of Electronic Structure Variations across the Orthoquinone/Semiquinone/Catechol Redox Series

Wheeler, Daniel E., Rodriguez, Jorge H., McCusker, James K.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 261 KB

english, 1999

22

A Coupled-Cluster Analysis of the Electronic Excited States in Aminobenzonitriles

Parusel, Andreas B. J., Köhler, Gottfried, Nooijen, Marcel

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 112 KB

english, 1999

23

Density Functional Study of Systems with Nondynamical Electron Correlation: The S 3 , Se 3 , and Te 3 Potential Energy Surfaces

Goddard, John D., Chen, Xiaoqing, Orlova, Galina

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 67 KB

english, 1999

24

Ultrasonic Relaxation Kinetics on Fast Deuteron Transfer Reaction

Huang, Hua, Nishikawa, Sadakatsu, Dong, Shaojun

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 55 KB

english, 1999

25

FT-IR Product Studies of the Cl-Initiated Oxidation of CH 3 Cl in the Presence of NO

Bilde, Merete, Orlando, John J., Tyndall, Geoffrey S., Wallington, Timothy J., Hurley, Michael D., Kaiser, E. W.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 64 KB

english, 1999

26

A Theoretical Study of the Reaction of ClONO 2 with HCl on Ice

Bianco, Roberto, Hynes, James T.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 76 KB

english, 1999

27

A Theoretical Study of Pyrolysis Mechanisms of Pyrrole

Zhai, Lei, Zhou, Xuefeng, Liu, Ruifeng

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 90 KB

english, 1999

28

Direct Evidence for 1-Methylthymine Radical Cations and Their Transformation to Successor Radicals by Fourier Transform Electron Paramagnetic Resonance in the Nanosecond Time Scale

Geimer, J., Beckert, D.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 175 KB

english, 1999

29

Rotation of Aromatic Hydrocarbons in Viscous Alkanes. 2. Hindered Rotation in Squalane

Brocklehurst, Brian, Young, Ronald N.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 148 KB

english, 1999

30

Computational Study of Isomerization Reactions of Silacyclopropene

Skancke, Per N., Hrovat, David A., Borden, Weston Thatcher

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 84 KB

english, 1999

31

Vertical and Relaxed Structures of a Reactive Organosilane Radical Cation from CW and Transient Resonance Raman Spectra

Godbout, Jerry T., Pietrzykowski, Matthew D., Gould, Ian R., Goodman, Joshua L., Kelley, Anne Myers

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 102 KB

english, 1999

32

Femtosecond Time-Resolved Dynamics of Geminate and Nongeminate Recombination: Iodine Enclosed in the Nanocavities of a Microporous SiO 2 Modification †

Flachenecker, G., Behrens, P., Knopp, G., Schmitt, M., Siebert, T., Vierheilig, A., Wirnsberger, G., Materny, A.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 131 KB

english, 1999

33

Ab Initio Quantum Chemical and Kinetic Modeling Study of the Pyrolysis Kinetics of Pyrrole

Martoprawiro, Muhamad, Bacskay, George B., Mackie, John C.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 178 KB

english, 1999

34

Ab Initio Calculations of 1 H and 13 C Chemical Shifts in Anhydrodeoxythymidines

Czernek, Jiří, Sklenář, Vladimír

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 80 KB

english, 1999

35

Charge Transfer Induced Excited State Twisting of N , N -Dimethylaminobenzylidene-1,3-indandione in Solution

Gulbinas, V., Kodis, G., Jursenas, S., Valkunas, L., Gruodis, A., Mialocq, J.-C., Pommeret, S., Gustavsson, T.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 184 KB

english, 1999

36

Computer Simulation of the Cryoprotectant Disaccharide α,α-Trehalose in Aqueous Solution

Conrad, Paul B., de Pablo, Juan J.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 124 KB

english, 1999

37

Kinetics of C 6 H 5 Radical Reactions with Toluene and Xylenes by Cavity Ringdown Spectrometry

Park, J., Chakraborty, D., Bhusari, D. M., Lin, M. C.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 161 KB

english, 1999

38

Oxidative Coupling of Small Oligothiophenes and Oligopyrroles in Water in the Presence of Cyclodextrin. Pulse Radiolysis Investigations

Guyard, L., Hapiot, P., Jouini, M., Lacroix, J.-C., Lagrost, C., Neta, P.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 178 KB

english, 1999

39

Translational Energy Relaxation of Hot O( 1D ) Atoms

Balakrishnan, N., Kharchenko, V., Dalgarno, A.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 75 KB

english, 1999

40

A Pulsed Source for Kr(5s[3/2] 1 ) Resonance State Atoms Using Two-Photon-Driven Amplified Spontaneous Emission: Measurement of Quenching Rate Constants

Alekseev, V. A., Setser, D. W.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 141 KB

english, 1999

41

Excited-State Kinetics of the Hydrophobic Probe Nile Red in Membranes and Micelles

Krishna, M. M. G.

Journal:

Journal of Physical Chemistry A

Year:

1999

File:

PDF, 8 KB

1999

42

Collisional Activation of Small Peptides

Meroueh, Oussama, Hase, William L.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 213 KB

english, 1999

43

Rotation of Aromatic Hydrocarbons in Viscous Alkanes. 1. Methylcyclohexane

Brocklehurst, Brian, Young, Ronald N.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 91 KB

english, 1999

44

Correlation of Empirical δ(TMS) and Absolute NMR Chemical Shifts Predicted by ab Initio Computations

Baldridge, Kim K., Siegel, Jay S.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 62 KB

english, 1999

45

A Systematic Application of Density Functional Theory to Some Carbon-Containing Molecules and Their Anions

Brown, Shawn T., Rienstra-Kiracofe, Jonathan C., Schaefer, Henry F.

Journal:

Journal of Physical Chemistry A

Year:

1999

File:

PDF, 9 KB

1999

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