Volume 102; Issue 1

Journal of Physical Chemistry A

Volume 102; Issue 1

1

Density Functional Theory Calculations of the Structures, Binding Energies, and Infrared Spectra of Methanol Clusters

Hagemeister, Fredrick C., Gruenloh, Christopher J., Zwier, Timothy S.

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 268 KB

english, 1998

2

Potential Energy Function for Intramolecular Proton Transfer Reaction of Glycine in Aqueous Solution

Okuyama-Yoshida, Naoto, Nagaoka, Masataka, Yamabe, Tokio

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 195 KB

english, 1998

3

Measurement and Calculation of Absolute Rotational Strengths for Camphor, α-Pinene, and Borneol

Bouř, Petr, McCann, Jennifer, Wieser, Hal

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 180 KB

english, 1998

4

Deliquescence Behavior of Multicomponent Aerosols

Ge, Zhaozhu, Wexler, Anthony S., Johnston, Murray V.

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 157 KB

english, 1998

5

Unimolecular Decomposition Pathways of Dimethyl Ether: An ab Initio Study

Nash, John J., Francisco, Joseph S.

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 100 KB

english, 1998

6

Structure of Concentrated HCl Solutions

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 147 KB

english, 1998

7

Viscoelastic Continuum Model of Nonpolar Solvation. 1. Implications for Multiple Time Scales in Liquid Dynamics

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 248 KB

english, 1998

8

Ab Initio Molecular Orbital Calculations of the Potential Energy Surfaces for the N( 2 D) + CH 4 Reaction

Kurosaki, Yuzuru, Takayanagi, Toshiyuki, Sato, Kei, Tsunashima, Shigeru

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 205 KB

english, 1998

9

A Precursor to the Solvent Radical Cation MCH + : Pulse Radiolysis of Liquid Methylcyclohexane (MCH) at 143 K

Bühler, R. E., Katsumura, Y.

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 246 KB

english, 1998

10

Femtosecond Transient Absorption Studies of trans - and cis -1,3,5-Hexatriene in Solution

Ohta, Kaoru, Naitoh, Yukito, Tominaga, Keisuke, Hirota, Noboru, Yoshihara, Keitaro

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 261 KB

english, 1998

11

Kinetics and Thermochemistry of the Reversible Combination Reaction of the Phenoxy Radical with NO

Berho, Florence, Caralp, Françoise, Rayez, Marie-Thérèse, Lesclaux, Robert, Ratajczak, Emil

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 257 KB

english, 1998

12

Reactions of O( 3 P) with Alkenes: H, CH 2 CHO, CO, and OH Channels

Quandt, Robert, Min, Zhiyuan, Wang, Xuebin, Bersohn, Richard

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 158 KB

english, 1998

13

Rotational State-Specific Dynamics of SiF C 2 Δ−B 2 Σ + Collision-Induced Transfer

Jackson, Neil A., Randall, Colin J., McKendrick, Kenneth G.

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 255 KB

english, 1998

14

Intermolecular Coupling in Liquid and Crystalline States of trans - N -Methylacetamide Investigated by Polarized Raman and FT-IR Spectroscopies

Schweitzer-Stenner, Reinhard, Sieler, Guido, Mirkin, Noemi G., Krimm, Samuel

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 267 KB

english, 1998

15

An Experimental and Theoretical Study of Jet-Cooled Complexes of Chiral Molecules: The Role of Dispersive Forces in Chiral Discrimination

Le Barbu, K., Brenner, V., Millié, Ph., Lahmani, F., Zehnacker-Rentien, A.

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 266 KB

english, 1998

16

Kinetics of the Reactions of N( 4 S) Atoms with O 2 and CO 2 over Wide Temperatures Ranges

Fernandez, Abel, Goumri, A., Fontijn, Arthur

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 118 KB

english, 1998

17

Intra- and Intermolecular Hydrogen Bonding in 2-Phosphinylphenol: A Quantum Chemical Study

Levy, Jack B., Martin, Ned H., Hargittai, István, Hargittai, Magdolna

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 169 KB

english, 1998

18

Nonconservation of Spin in the Reaction of CN with O 2

Phillips, Leon F.

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 162 KB

english, 1998

19

Reactions of HSCH 2 Radical with O 2 , NO, and NO 2 : Ab Initio Calculations of Enthalpies of Reaction

Trindle, Carl, Romberg, Kristin

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 107 KB

english, 1998

20

Calculation of Rate Constants for Proton Transfer between Tethered Oxygens

Immaraporn, Boonchuan, Isaacson, Alan D.

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 190 KB

english, 1998

21

Comment on “Length Scale for the Constant Pressure Ensemble: Application to Small Systems and Relation to Einstein Fluctuation Theory”

Corti, David S.

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 85 KB

english, 1998

22

Caging and Geminate Recombination following Photolysis of Triiodide in Solution

Gershgoren, Erez, Banin, Uri, Ruhman, Sanford

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 187 KB

english, 1998

23

Photochemical Reactions of Rhodium(III) Diimine Complexes in Solid Glycerol Matrixes. Thermal Activation of a Triplet dd Level from a Triplet ππ* Manifold

Brozik, J. A., Crosby, G. A.

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 167 KB

english, 1998

24

Theoretical Study on the Silylidyne Insertion into NH 3 , H 2 O, HF, PH 3 , H 2 S, and HCl

Wang, Z.-X., Huang, M.-B.

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 171 KB

english, 1998

25

Distance Dependence of Electronic Coupling through Trans Alkyl Chains: Effects of Electron Correlation

Curtiss, Larry A., Miller, John R.

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 195 KB

english, 1998

26

B3LYP, Hybrid Density Functional Studies of the Durosemiquinone Radical: The Effect of Symmetrical and Asymmetrical Hydrogen Bonding on Spin Densities and Hyperfine Couplings

O'Malley, Patrick J.

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 147 KB

english, 1998

27

Measuring Gas-Phase Chlorine Atom Concentrations: Rate Constants for Cl + HN 3 , CF 3 I, and C 2 F 5 I

Manke, G. C., Setser, D. W.

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 201 KB

english, 1998

28

Reduction Potential of the tert -Butylperoxyl Radical in Aqueous Solutions

Das, Tomi Nath, Dhanasekaran, T., Alfassi, Z. B., Neta, P.

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 146 KB

english, 1998

29

Reaction-Path Dynamics in Redundant Internal Coordinates

Chuang, Yao-Yuan, Truhlar, Donald G.

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 147 KB

english, 1998

30

Magnetic Exchange between Orbitally Degenerate Ions: A New Development for the Effective Hamiltonian

Borrás-Almenar, J. J., Clemente-Juan, J. M., Coronado, E., Palii, A. V., Tsukerblat, B. S.

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 361 KB

english, 1998

31

Beam Depletion Spectroscopy of Alkali Atoms (Li, Na, K) Attached to Highly Quantum Clusters

Callegari, C., Higgins, J., Stienkemeier, F., Scoles, G.

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 161 KB

english, 1998

32

Analysis of X-ray Absorption Spectra of Some Nickel Oxycompounds Using Theoretical Standards

Mansour, A. N., Melendres, C. A.

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 408 KB

english, 1998

33

Effect of Sodium Perchlorate on the Binding of 2-(4‘-Aminophenyl)- and 2-(4‘-( N , N ‘-Dimethylamino)phenyl)benzothiazole with β-Cyclodextrin in Aqueous Solution

Dey, Joykrishna, Roberts, Eric L., Warner, Isiah M.

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 145 KB

english, 1998

34

Intermolecular MH···HR Bonding in Monohydride Mo and W Complexes

Orlova, Galina, Scheiner, Steve

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 299 KB

english, 1998

35

Magnetic Circular Dichroism of the CH Radical in an Argon Matrix

Langford, Vaughan S., Williamson, Bryce E.

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 237 KB

english, 1998

36

Low-lying Electronic States of GeSe: Multireference Singles and Doubles Configuration Interaction Study

Manna, Biswabrata, Das, Kalyan Kumar

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 295 KB

english, 1998

37

On the Reactivity of Ti + ( 4 F, 2 F). Reaction of Ti + with OH 2

Irigoras, Arantxa, Fowler, Joseph E., Ugalde, Jesus M.

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 239 KB

english, 1998

38

Kinetics and Mechanism of Complex Formation between Mg 2+ and Methylthymol Blue

Bremer, C., Ruf, H., Grell, E.

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 255 KB

english, 1998

39

Hydration of Beryllium, Magnesium, Calcium, and Zinc Ions Using Density Functional Theory

Pavlov, Maria, Siegbahn, Per E. M., Sandström, Magnus

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 222 KB

english, 1998

40

Inhomogeneities of CSTR on a Macroscale Due to Spatial Dependence of Micromixing Time: The BZ Reaction

Strizhak, Peter, Ali, Fathei, Menzinger, Michael

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 133 KB

english, 1998

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