Volume 101; Issue 23

Journal of Physical Chemistry A

Volume 101; Issue 23

1

On the Theoretical Investigation on Spectroscopy of the Electron Donor−Acceptor Complex TCNE−HMB †

Hayashi, M., Yang, T.-S., Yu, J., Mebel, A., Lin, S. H.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 188 KB

english, 1997

2

Density Functional Study of the Electronic Structures of [Co(NH 3 ) 5 X] (3+ n )+ Complexes. Insight into the Role of the 3d and 4s Orbitals in Metal−Ligand Interactions

Chan, Jerry C. C., Wilson, Philip J., Au-Yeung, Steve C. F., Webb, Graham A.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 169 KB

english, 1997

3

Electronic Structures and Energetics in the CuX and Cu 2 X Series (X = O, S, Se, Te, Po)

Mahé, Loïc, Boughdiri, Salima Friha, Barthelat, Jean-Claude

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 165 KB

english, 1997

4

Potential Energy Surfaces for Dissociation Reactions of High-Energy Isomers of N 2 O 2

Chaban, Galina, Gordon, Mark S., Nguyen, Kiet A.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 317 KB

english, 1997

5

Role of Lone-Pairs in Internal Rotation Barriers

Pophristic, Vojislava, Goodman, Lionel, Guchhait, Nikhil

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 223 KB

english, 1997

6

Energies and Derivative Couplings in the Vicinity of a Conical Intersection Using Degenerate Perturbation Theory and Analytic Gradient Techniques. 1

Yarkony, David R.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 238 KB

english, 1997

7

Reaction-Path Dynamics of Hydroxyl Radical Reactions with Ethane and Haloethanes

Sekušak, Sanja, Liedl, Klaus R., Rode, Bernd M., Sabljić, Aleksandar

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 312 KB

english, 1997

8

Conformation and Crystal Structure of Poly ( α-cycloalkyl-β- l -aspartate)s

García-Alvarez, Montserrat, Martínez de Ilarduya, Antxon, León, Salvador, Alemán, Carlos, Muñoz-Guerra, Sebastián

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 242 KB

english, 1997

9

UV Absorption Cross Sections, Laser Photodissociation Product Quantum Yields, and Reactions of H Atoms with Methylhydrazines at 298 K

Vaghjiani, Ghanshyam L.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 151 KB

english, 1997

10

Infrared Absorption Probing of the Cl + C 2 H 4 Reaction: Direct Measurement of Arrhenius Parameters for Hydrogen Abstraction

Pilgrim, Jeffrey S., Taatjes, Craig A.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 182 KB

english, 1997

11

OH Formation in the Photoexcitation of NO 2 beyond the Dissociation Threshold in the Presence of Water Vapor

Crowley, John N., Carl, Shaun A.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 180 KB

english, 1997

12

Static Dipole Polarizabilities through Density Functional Methods

Fuentealba, P., Simón-Manso, Y.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 104 KB

english, 1997

13

Ammonium Bisulfate/Water Equilibrium and Metastability Phase Diagrams

Imre, Dan G., Xu, Jun, Tang, I. N., McGraw, R.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 193 KB

english, 1997

14

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

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

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 190 KB

english, 1997

15

Monitoring of Molecular Collective Behavior at a Liquid/Liquid Interface by a Time-Resolved Quasi-Elastic Laser Scattering Method

Zhang,, Tsuyumoto, Isao, Takahashi, Satoshi, Kitamori, Takehiko, Sawada, Tsuguo

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 235 KB

english, 1997

16

Time-Resolved Studies of the Kinetics of the Reactions of CHO with HI and HBr: Thermochemistry of the CHO Radical and the C−H Bond Strengths in CH 2 O and CHO

Becerra, Rosa, Carpenter, Ian W., Walsh, Robin

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 171 KB

english, 1997

17

Electronic Structure, Porphyrin Core Distortion, and Fluxional Behavior of Bis-Ligated Low-Spin Iron(II) Porphyrinates

Grodzicki, Michael, Flint, Holger, Winkler, Heiner, Walker, F. Ann, Trautwein, Alfred X.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 191 KB

english, 1997

18

Infrared Spectra and Nature of the Principal CO Trapping Sites in Amorphous and Crystalline H 2 O Ice

Palumbo, M. Elisabetta

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 296 KB

english, 1997

19

Photolysis of Na + (Cryptand[2.2.2])Na - : Photobleaching of Absorbance and Quenching of Fluorescence

Hendrickson, James Erik, Xu, Guangzhou, Pratt,, William P., Dye, James L.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 196 KB

english, 1997

20

Conformational Analysis of ( S )-4-(Cyclohexoxycarbonyl)-2-azetidinone

León, Salvador, Martínez de Ilarduya, Antxon, Alemán, Carlos, García-Alvarez, Montserrat, Muñoz-Guerra, Sebastián

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 200 KB

english, 1997

21

Unimolecular Chemistry of Protonated Diols in the Gas Phase: Internal Cyclization and Hydride Ion Transfer

Bouchoux, G., Choret, N., Flammang, R.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 424 KB

english, 1997

22

Inverse Hydrogen-Bonded Complexes

Rozas, Isabel, Alkorta, Ibon, Elguero, José

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 492 KB

english, 1997

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