Volume 116; Issue 8

Journal of Physical Chemistry A

Volume 116; Issue 8

1

Intersystem Crossing Involving Strongly Spin Exchange-Coupled Radical Ion Pairs in Donor–bridge–Acceptor Molecules

Colvin, Michael T., Ricks, Annie Butler, Scott, Amy M., Co, Dick T., Wasielewski, Michael R.

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 449 KB

english, 2012

2

Study on the Reaction of CH 2 with H 2 at High Temperature

Lee, Pei-Fang, Matsui, Hiroyuki, Wang, Niann-Shiah

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 1.07 MB

english, 2012

3

Formation of Schiff Bases of O -Phosphorylethanolamine and O -Phospho- d , l -serine with Pyridoxal 5′-Phosphate. Experimental and Theoretical Studies

Vilanova, Bartolomé, Gallardo, Jessica M., Caldés, Catalina, Adrover, Miquel, Ortega-Castro, Joaquín, Muñoz, Francisco, Donoso, Josefa

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 2.36 MB

english, 2012

4

Anharmonic Vibrational Frequency Shifts upon Interaction of Phenol(+) with the Open Shell Ligand O 2 . The Performance of DFT Methods versus MP2

Kocevski, Vancho, Pejov, Ljupčo

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 880 KB

english, 2012

5

Combined Linear Response Quantum Mechanics and Classical Electrodynamics (QM/ED) Method for the Calculation of Surface-Enhanced Raman Spectra

Mullin, Jonathan, Schatz, George C.

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 1.62 MB

english, 2012

6

Correction to “Self-Assembled Monolayers of 2-Adamantanethiol on Au{111}: Control of Structure and Displacement”

Kim, Moonhee, Hohman, J. Nathan, Morin, Elizabeth I., Daniel, Thomas A., Weiss, Paul S.

Journal:

Journal of Physical Chemistry A

Year:

2012

File:

PDF, 106 KB

2012

7

Reactions within Fluorobenzene–Ammonia Heterocluster Ions: Experiment and Theory

Butterworth, Kristin, Chiang, Chi-Tung, Cunningham, Brian, Freindorf, Marek, Furlani, Thomas R., DeLeon, Robert L., Garvey, James F.

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 2.34 MB

english, 2012

8

Comparison of the Conformational Behavior of Amino Acids and N -Acetylated Amino Acids: A Theoretical and Matrix-Isolation FT-IR Study of N -Acetylglycine

Boeckx, Bram, Maes, Guido

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 1008 KB

english, 2012

9

Laser-Induced Low Energy Electron Diffraction in Aligned Molecules

Lee, Suk Kyoung, Lin, Yun Fei, Yan, Lu, Li, Wen

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 4.39 MB

english, 2012

10

Theoretical Study of Nascent Hydration in the Fe + (H 2 O) n System

Garza-Galindo, Rodrigo, Castro, Miguel, Duncan, Michael A.

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 2.85 MB

english, 2012

11

Why Are SiX 5– and GeX 5– (X = F, Cl) Stable but Not CF 5– and CCl 5– ?

Marchaj, Marzena, Freza, Sylwia, Skurski, Piotr

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 3.16 MB

english, 2012

12

Modeling Ultrafast Solvated Electronic Dynamics Using Time-Dependent Density Functional Theory and Polarizable Continuum Model

Liang, Wenkel, Chapman, Craig T., Ding, Feizhi, Li, Xiaosong

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 1.84 MB

english, 2012

13

Infrared Matrix Isolation Study of the Thermal and Photochemical Reactions of Ozone with Dimethylcadmium

McNally, Devin, Ault, Bruce S.

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 941 KB

english, 2012

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