Volume 118; Issue 17

Journal of Physical Chemistry A

Volume 118; Issue 17

1

Blue-Violet Photoluminescence of 4-Isopropyl-pyridine Hydroxide Crystals

Vaganova, Evgenia, Wachtel, Ellen, Leitus, Gregory, Danovich, David, Popov, Inna, Dubnikova, Faina, Yitzchaik, Shlomo

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 3.42 MB

english, 2014

2

Valence Shell Photoelectron Spectroscopy of Pyrene and Fluorene: Photon Energy Dependence in the Far-Ultraviolet Region

Mishra, Preeti Manjari, Avaldi, Lorenzo, Bolognesi, Paola, Prince, Kevin C., Richter, Robert, Kadhane, Umesh R.

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 1.93 MB

english, 2014

3

Double-Hybrid Density Functionals Free of Dispersion and Counterpoise Corrections for Non-Covalent Interactions

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 514 KB

english, 2014

4

7-Hydroxyflavone Revisited: Spectral, Acid–Base Properties, and Interplay of the Protolytic Forms in the Ground and Excited States

Serdiuk, Illia E., Varenikov, Andrii S., Roshal, Alexander D.

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 2.24 MB

english, 2014

5

Structure and Property Investigations of TDO in Aqueous Phase by Density Functional Theory, UV Absorption, and Raman Spectroscopy

Shao, Jianzhong, Liu, Xiaoyun, Chen, Pin, Wu, Qiuxia, Zheng, Xuming, Pei, Kemei

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 1.67 MB

english, 2014

6

State-Dependent Global and Local Electrophilicity of the Aryl Cations

Bondarchuk, Sergey V., Minaev, Boris F.

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 1.77 MB

english, 2014

7

Cooperativity of Halogen, Chalcogen, and Pnictogen Bonds in Infinite Molecular Chains by Electronic Structure Theory

George, Janine, Deringer, Volker L., Dronskowski, Richard

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 1.51 MB

english, 2014

8

Thermochemical Properties and Bond Dissociation Enthalpies of 3- to 5-Member Ring Cyclic Ether Hydroperoxides, Alcohols, and Peroxy Radicals: Cyclic Ether Radical + 3 O 2 Reaction Thermochemistry

Auzmendi-Murua, Itsaso, Bozzelli, Joseph W.

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 2.17 MB

english, 2014

9

Structures and Stabilities of (MgO) n Nanoclusters

Chen, Mingyang, Felmy, Andrew R., Dixon, David A.

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 3.34 MB

english, 2014

10

Effects of Charge and Substituent on the S···N Chalcogen Bond

Adhikari, Upendra, Scheiner, Steve

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 2.12 MB

english, 2014

11

Excitation of Biomolecules with Incoherent Light: Quantum Yield for the Photoisomerization of Model Retinal

Tscherbul, T. V., Brumer, P.

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 643 KB

english, 2014

12

Microwave Spectrum and Intramolecular Hydrogen Bonding of 2-Isocyanoethanol (HOCH 2 CH 2 N≡C)

Møllendal, Harald, Samdal, Svein, Guillemin, Jean-Claude

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 582 KB

english, 2014

13

Resonance IR: A Coherent Multidimensional Analogue of Resonance Raman

Boyle, Erin S., Neff-Mallon, Nathan A., Handali, Jonathan D., Wright, John C.

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 1.43 MB

english, 2014

14

Excited-State Intramolecular Hydrogen Transfer (ESIHT) of 1,8-Dihydroxy-9,10-anthraquinone (DHAQ) Characterized by Ultrafast Electronic and Vibrational Spectroscopy and Computational Modeling

Mohammed, Omar F., Xiao, Dequan, Batista, Victor S., Nibbering, Erik T. J.

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 3.10 MB

english, 2014

15

Investigation of the Electronic Structures of Organolanthanide Sandwich Complex Anions by Photoelectron Spectroscopy: 4f Orbital Contribution in the Metal–Ligand Interaction

Hosoya, Natsuki, Yada, Keizo, Masuda, Tomohide, Nakajo, Erika, Yabushita, Satoshi, Nakajima, Atsushi

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 1.37 MB

english, 2014

16

Trends in Bond Dissociation Energies of Alcohols and Aldehydes Computed with Multireference Averaged Coupled-Pair Functional Theory

Oyeyemi, Victor B., Keith, John A., Carter, Emily A.

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 3.30 MB

english, 2014

17

Dielectric Properties of Ethanol and Gasoline Mixtures by Terahertz Spectroscopy and an Effective Method for Determination of Ethanol Content of Gasoline

Arik, Enis, Altan, Hakan, Esenturk, Okan

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 2.45 MB

english, 2014