Volume 114; Issue 45

Journal of Physical Chemistry A

Volume 114; Issue 45

1

Multireference Character of 1,3-Dipolar Cycloaddition of Ozone with Ethylene and Acrylonitrile

Saito, Toru, Nishihara, Satomichi, Kataoka, Yusuke, Nakanishi, Yasuyuki, Kitagawa, Yasutaka, Kawakami, Takashi, Yamanaka, Shusuke, Okumura, Mitsutaka, Yamaguchi, Kizashi

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 923 KB

english, 2010

2

Theoretical Studies of CH4 Inside an Open-Cage Fullerene: Translation−Rotation Coupling and Thermodynamic Effects

Whitener, Keith E.

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 948 KB

english, 2010

3

Quadratic and Cubic Nonlinear Optical Properties of Salts of Diquat-Based Chromophores with Diphenylamino Substituents

Coe, Benjamin J., Fielden, John, Foxon, Simon P., Helliwell, Madeleine, Brunschwig, Bruce S., Asselberghs, Inge, Clays, Koen, Olesiak, Joanna, Matczyszyn, Katarzyna, Samoc, Marek

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 1.09 MB

english, 2010

4

Cooperative and Diminutive Unusual Weak Bonding In F 3 CX···HMgH···Y and F 3 CX···Y···HMgH Trimers (X = Cl, Br; Y = HCN, and HNC)

Solimannejad, Mohammad, Malekani, Masumeh, Alkorta, Ibon

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 209 KB

english, 2010

5

Interpretation of the UV−vis Spectra of the meso (Ferrocenyl)-Containing Porphyrins using a TDDFT Approach: Is Gouterman’s Classic Four-Orbital Model Still in Play?

Nemykin, Victor N., Hadt, Ryan G.

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 1.37 MB

english, 2010

6

ClO Radical Yields in the Reaction of O( 1 D) with Cl 2 , HCl, Chloromethanes, and Chlorofluoromethanes

Feierabend, Karl J., Papanastasiou, Dimitrios K., Burkholder, James B.

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 2.14 MB

english, 2010

7

Degradation of a Model Naphthenic Acid, Cyclohexanoic Acid, by Vacuum UV (172 nm) and UV (254 nm)/H 2 O 2

Drzewicz, Przemysław, Afzal, Atefeh, El-Din, Mohamed Gamal, Martin, Jonathan W.

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 1.33 MB

english, 2010

8

Distance Dependence of the Reaction Rate for the Reduction of Metal Cations by Solvated Electrons: A Picosecond Pulse Radiolysis Study

Schmidhammer, Uli, Pernot, Pascal, Waele, Vincent De, Jeunesse, Pierre, Demarque, Alexandre, Murata, Shigeo, Mostafavi, Mehran

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 1.86 MB

english, 2010

9

Controlling Product Selection in the Photodissociation of Formaldehyde: Direct Quantum Dynamics from the S 1 Barrier

Araújo, Marta, Lasorne, Benjamin, Magalhães, Alexandre L., Bearpark, Michael J., Robb, Michael A.

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 1.15 MB

english, 2010

10

Rotationally Resolved S 1 −S 0 Electronic Spectra of 2,6-Diaminopyridine: A Four-Fold Barrier Problem

Clements, Casey L., Young, Justin W., Pratt, David W.

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 1.19 MB

english, 2010

11

Nature of M−Ga Bonds in Dihalogallyl Complexes (η 5 -C 5 H 5 )(Me 3 P) 2 M(GaX 2 ) (M = Fe, Ru, Os) and (η 5 -C 5 H 5 )(OC) 2 Fe(GaX 2 ) (X = Cl, Br, I): A DFT Study

Pandey, Krishna K., Patidar, Pankaj, Aldridge, Simon

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 2.82 MB

english, 2010

12

14 N NQR Study of Polymorphism and Hydrogen Bonding in Molecular Complex Isonicotinamide−Oxalic Acid (2:1)

Seliger, J., Žagar, V.

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 160 KB

english, 2010

13

Catalytic Activity of Phosphine−Copper Complexes for Hydroboration of Styrene with Pinacolborane: Experiment and Theory

Won, Jiyeon, Noh, Dongwan, Yun, Jaesook, Lee, Jin Yong

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 1.21 MB

english, 2010

14

Kinetics of Hydrogen Abstraction Reactions of Butene Isomers by OH Radical

Sun, Hongyan, Law, Chung K.

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 3.63 MB

english, 2010

15

Detection of Vibrational Bending Mode ν 8 and Overtone Bands of the Propargyl Radical, HCCCH 2 X̃ 2 B 1

Zhang, Xu, Sander, Stanley P., Chaimowitz, Adam, Ellison, G. Barney, Stanton, John F.

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 1.39 MB

english, 2010

16

Tri- and Tetraprotonated Ethane (C 2 H 93+ and C 2 H 104+ ) Containing Five- and Six-Coordinate Carbons

Rasul, Golam, Prakash, G. K. Surya, Olah, George A.

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 1.18 MB

english, 2010

17

Photooxidative Coupling of Thiophenol Derivatives to Disulfides

Kim, Hyung Jun, Yoon, Jun Hee, Yoon, Sangwoon

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 2.19 MB

english, 2010

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