Volume 114; Issue 24

Journal of Physical Chemistry A

Volume 114; Issue 24

1

Interpretation of Indirect Nuclear Spin−Spin Couplings in Isomers of Adenine: Novel Approach to Analyze Coupling Electron Deformation Density Using Localized Molecular Orbitals

Marek, Radek, Křístková, Anežka, Maliňáková, Kateřina, Toušek, Jaromír, Marek, Jaromír, Hocek, Michal, Malkina, Olga L., Malkin, Vladimir G.

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 336 KB

english, 2010

2

Very Strongly Ferromagnetically Coupled Diradicals from Mixed Radical Centers. II. Nitronyl Nitroxide Coupled to Tetrathiafulvalene via Spacers

Latif, Iqbal A., Singh, Ved Prakash, Bhattacharjee, Ujjal, Panda, Anirban, Datta, Sambhu N.

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 905 KB

english, 2010

3

Comment on “Enthalpy Difference between Conformations of Normal Alkanes: Raman Spectroscopy Study of n -Pentane and n -Butane”

Tasi, Gyula, Nagy, Balázs

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 35 KB

english, 2010

4

Are Reactions Between Metal Cyanides and Aryl Diazonium Ions Really Outer-Sphere Electron Transfer Processes?

Kläning, Ulrik, Lund, Torben, Lund, Henning, Pedersen, Steen Uttrup, Daasbjerg, Kim

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 320 KB

english, 2010

5

Electronic Structure and Proton Transfer in Ground-State Hexafluoroacetylacetone

Chatterjee, Chandrima, Incarvito, Christopher D., Burns, Lori A., Vaccaro, Patrick H.

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 3.84 MB

english, 2010

6

Theoretical Study of the LiCs Molecule: Adiabatic and Diabatic Potential Energy and Dipole Moment

Mabrouk, N., Berriche, H., Ouada, H. Ben, Gadea, F. X.

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 1.47 MB

english, 2010

7

Vibrational Spectroscopy and Dynamics of the Hydrazoic and Isothiocyanic Acids in Water and Methanol

Houchins, Cassidy, Weidinger, Daniel, Owrutsky, Jeffrey C.

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 517 KB

english, 2010

8

Bonding Analysis of the [C 2 O 4 ] 2+ Intermediate Formed in the Reaction of CO 22+ with Neutral CO 2

Feixas, Ferran, Ponec, Robert, Fišer, Jiří, Roithová, Jana, Schröder, Detlef, Price, Stephen D.

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 1.38 MB

english, 2010

9

Microwave and Quantum Chemical Study of Allyldifluorosilane (H 2 C═CHCH 2 SiF 2 H)

Møllendal, Harald, Samdal, Svein, Guirgis, Gamil A., Wurrey, Charles J.

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 516 KB

english, 2010

10

Detailed Modeling of Low-Temperature Propane Oxidation: 1. The Role of the Propyl + O 2 Reaction

Huynh, Lam K., Carstensen, Hans-Heinrich, Dean, Anthony M.

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 2.85 MB

english, 2010

11

Ab-Initio-Based Global Double Many-Body Expansion Potential Energy Surface for the Electronic Ground State of the Ammonia Molecule

Li, Y. Q., Varandas, A. J. C.

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 1.16 MB

english, 2010

12

Structure of the Room-Temperature Ionic Liquid 1-Hexyl-3-methylimidazolium Hydrogen Sulfate: Conformational Isomerism

Kiefer, Johannes, Pye, Cory C.

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 1.02 MB

english, 2010

13

Exchange Interactions in Systems with Multiple Magnetic Sites

Paul, Satadal, Misra, Anirban

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 1.14 MB

english, 2010

14

Solid-State NMR Spectra and Long, Intra-Dimer Bonding in the π-[TTF] 22+ (TTF = Tetrathiafulvalene) Dication

Halling, Merrill D., Bell, Joshua D., Pugmire, Ronald J., Grant, David M., Miller, Joel S.

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 2.72 MB

english, 2010

15

DFT/TD-DFT Study on the Electronic Structures and Optoelectronic Properties of Several Blue-Emitting Iridium(III) Complexes

Shi, Lili, Hong, Bo, Guan, Wei, Wu, Zhijian, Su, Zhongmin

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 1.29 MB

english, 2010

16

Degradation of Atrazine by Electrochemical Advanced Oxidation Processes Using a Boron-Doped Diamond Anode

Borràs, Núria, Oliver, Ramon, Arias, Conchita, Brillas, Enric

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 643 KB

english, 2010

17

Multilevel Extension of the Cluster-in-Molecule Local Correlation Methodology: Merging Coupled-Cluster and Møller−Plesset Perturbation Theories

Li, Wei, Piecuch, Piotr

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 1.39 MB

english, 2010

18

How Strained are Carbomeric-Cycloalkanes?

Wodrich, Matthew D., Gonthier, Jérôme F., Steinmann, Stephan N., Corminboeuf, Clémence

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 1.79 MB

english, 2010

19

Quenching of OH(A 2 Σ + ) by H 2 through Conical Intersections: Highly Excited Products in Nonreactive Channel

Zhang, Pei-Yu, Lu, Rui-Feng, Chu, Tian-Shu, Han, Ke-Li

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 2.19 MB

english, 2010

20

Excited Cl( 2 P 1/2 ) Atoms: Yield from the Photodissociation of SOCl 2 and Collisional Deactivation by NO 2 , CCl 3 H, C 2 H 4 , C 3 H 6 , and SOCl 2

Rakhymzhan, Asylkhan, Chichinin, Alexey

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 363 KB

english, 2010

21

Reply to “Comment on ‘Enthalpy Difference between Conformations of Normal Alkanes: Raman Spectroscopy Study of n -Pentane and n -Butane’”

Balabin, Roman M.

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 43 KB

english, 2010

22

Unusually Large Coupling Constants in Diradicals Obtained from Excitation of Mixed Radical Centers: A Theoretical Study on Potential Photomagnets

Bhattacharjee, Ujjal, Panda, Anirban, Latif, Iqbal A., Datta, Sambhu N.

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 168 KB

english, 2010

To build up a library is to create a life. It’s never just a random collection of books.

— Carlos María Domínguez

Official channel

Z-Library Desktop Launcher

Tor version

Z-Library

Z-Library Since 2009 support@z-lib.do

EnglishРусскийEspañolItalianoελληνικάاللغة العربيةBahasa IndonesiaBahasa Malaysiaहिन्दीDeutschFrançaisPortuguêsУкраїнськаPolski中文繁體中文日本語Tiếng ViệtAzərbaycan DiliՀայոց լեզուภาษาไทยTürk Diliქართველიবাংলাپښتوతెలుగుاردو한국어SrpskiБългарски