Volume 101; Issue 45

Journal of Physical Chemistry A

Volume 101; Issue 45

1

Reactions of Laser-Ablated V, Cr, and Mn Atoms with Nitrogen Atoms and Molecules. Infrared Spectra and Density Functional Calculations on Metal Nitrides and Dinitrogen Complexes

Andrews, Lester, Bare, William D., Chertihin, George V.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 220 KB

english, 1997

2

Benchmarking the Molecular Mechanics−Valence Bond Method: Photophysics of Styrene and Indene

Bearpark, Michael J., Bernardi, Fernando, Olivucci, Massimo, Robb, Michael A.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 213 KB

english, 1997

3

Reactions of Laser-Ablated Manganese Atoms with Dioxygen. Infrared Spectra of MnO, OMnO, Mn(O 2 ), (MnO) 2 , and Higher Oxide Complexes in Solid Argon

Chertihin, George V., Andrews, Lester

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 377 KB

english, 1997

4

Ionization Energies of Acridine, Phenazine, and Diazaphenanthrenes

Dolgounitcheva, O., Zakrzewski, V. G., Ortiz, J. V.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 720 KB

english, 1997

5

Quantum Mechanical Methods and the Interpretation and Prediction of Pericyclic Reaction Mechanisms

Wiest, Olaf, Montiel, Daniel C., Houk, K. N.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 372 KB

english, 1997

6

Terrylenediimide: A Novel Fluorophore for Single-Molecule Spectroscopy and Microscopy from 1.4 K to Room Temperature

Mais, S., Tittel, J., Basché, Th., Bräuchle, C., Göhde, W., Fuchs, H., Müller, G., Müllen, K.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 163 KB

english, 1997

7

Spectroscopic and Electrochemical Probes of Electronic Coupling in Some Cyanide-Bridged Transition Metal Donor/Acceptor Complexes

Watzky, Murielle A., Macatangay, Ariel V., Van Camp, Richard A., Mazzetto, Selma E., Song, Xiaoqing, Endicott, John F., Buranda, Tione

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 456 KB

english, 1997

8

Considerable Stability and Visible Absorption of the Benzene−Water Hexamer Cluster Anion

Maeyama, Toshihiko, Oikawa, Takanobu, Seguchi, Ko, Mikami, Naohiko

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 109 KB

english, 1997

9

Electronic Structure of Thiirene and Silacyclopropene Substituted with Electropositive Groups

Lee, E. P. F., Nyulászi, L., Veszprémi, T.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 115 KB

english, 1997

10

Ab Initio Study of the Activation of Ammonia by Co +

Hendrickx, M., Ceulemans, M., Gong, K., Vanquickenborne, L.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 158 KB

english, 1997

11

Laser-Induced Decomposition of NTO

Garland, Nancy L., Ladouceur, H. D., Nelson, H. H.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 105 KB

english, 1997

12

Comparison of Experimental and Theoretical Structures of a Transition State Analogue Used for the Induction of Anti-Cocaine Catalytic Antibodies

Sherer, Edward C., Yang, Ginger, Turner, Gordon M., Shields, George C., Landry, Donald W.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 91 KB

english, 1997

13

Reaction Kinetics of Muonium with N 2 O in the Gas Phase

Pan, James J., Arseneau, Donald J., Senba, Masayoshi, Shelly, Mee, Fleming, Donald G.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 398 KB

english, 1997

14

Infrared Spectra of the Excited States of Coordination Compounds Containing CO Groups: Bandwidths in Polar and Nonpolar Solvents

Clark, Ian P., George, Michael W., Turner, James J.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 128 KB

english, 1997

15

Structure of Cage Amines as Models for Twisted Intramolecular Charge-Transfer States

Köhler, Gottfried, Rechthaler, Karl, Grabner, Gottfried, Luboradzki, Roman, Suwińska, Kinga, Rotkiewicz, Krystyna

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 218 KB

english, 1997

16

Binding of Nitric Oxide to First-Transition-Row Metal Cations: An ab Initio Study

Thomas,, Bauschlicher,, Charles W., Hall, Michael B.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 274 KB

english, 1997

17

Chaos in the Oxidation of Formaldehyde and/or Methanol

Okamoto, Hiroshi, Tanaka, Naoki, Naito, Masayoshi

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 600 KB

english, 1997

18

Unimolecular Dissociation of HOCl Near Threshold: Quantum State and Time-Resolved Studies

Barnes, Rhett James, Dutton, Gregory, Sinha, Amitabha

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 135 KB

english, 1997

19

Absolute Rate Constants for the Reactions of Cl Atoms with CH 3 Br, CH 2 Br 2 , and CHBr 3

Kambanis, Kyriakos G., Lazarou, Yannis G., Papagiannakopoulos, Panos

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 143 KB

english, 1997

20

Reactions of Cobalt Cluster Anions with Oxygen, Nitrogen, and Carbon Monoxide

Kapiloff, Elizabeth, Ervin, Kent M.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 225 KB

english, 1997

21

FT-IR (7500−1800 cm -1 ) Study of Hydrogen-Bond Complexes between Phenols−OH(OD) and Pyridine. Evidence of Proton Transfer in the Second Vibrational Excited State

Rospenk, Maria, Zeegers-Huyskens, Thérèse

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 175 KB

english, 1997

22

Radiation Chemical Oxidation of Benzaldehyde, Acetophenone, and Benzophenone

Sharma, S. B., Mudaliar, M., Rao, B. S. M., Mohan, H., Mittal, J. P.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 241 KB

english, 1997

23

Correlation Energy, Thermal Energy, and Entropy Effects in Stabilizing Different Secondary Structures of Peptides

Möhle, Kerstin, Gussmann, Martin, Rost, Andreas, Cimiraglia, Renzo, Hofmann, Hans-Jörg

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 129 KB

english, 1997

24

Reactions of H 3 O + and H 2 O + with Several Fully Halogenated Bromomethanes

Thomas, R. D., Kennedy, R. A., Mayhew, C. A., Watts, P.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 221 KB

english, 1997

25

Rate Constant for the Reaction of OH Radicals with Dichloromethane

Villenave, Eric, Orkin, Vladimir L., Huie, Robert E., Kurylo, Michael J.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 116 KB

english, 1997

26

Molar Mass Dependence of the Apparent Diffusion Coefficient of Flexible Highly Charged Polyelectrolytes in the Dilute Concentration Regime

Tanahatoe, J. J., Kuil, M. E.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 134 KB

english, 1997

27

Rate Coefficients for the Gas Phase Reactions of CF 3 CH 2 F (HFC-134a) with Chlorine and Fluorine Atoms: Experimental and ab Initio Theoretical Studies

Louis, Florent, Talhaoui, Abdelmonaem, Sawerysyn, Jean-Pierre, Rayez, Marie-Thérèse, Rayez, Jean-Claude

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 146 KB

english, 1997

28

The Force Field of Porphycene: A Theoretical and Experimental Approach

Malsch, Karsten, Hohlneicher, Georg

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 247 KB

english, 1997

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