Volume 113; Issue 8

Journal of Physical Chemistry A

Volume 113; Issue 8

1

Pseudorotation in Radical Cations of Low-Symmetric Decalin Molecules

Beregovaya, Irina V., Shchegoleva, Lyudmila N., Borovkov, Vsevolod I.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 136 KB

english, 2009

2

Low-lying Electronic States and Revised Thermochemistry of TiCl, TiCl 2 , and TiCl 3

Hildenbrand, D. L.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 60 KB

english, 2009

3

Absorption Spectra of Estradiol and Tryptophan Constructed by the Statistical and Elongation Methods

Pomogaev, Vladimir, Pomogaeva, Anna, Aoki, Yuriko

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 190 KB

english, 2009

4

Hygroscopic Properties of CH 3 SO 3 Na, CH 3 SO 3 NH 4 , (CH 3 SO 3 ) 2 Mg, and (CH 3 SO 3 ) 2 Ca Particles Studied by micro-FTIR Spectroscopy

Liu, Yong, Laskin, Alexander

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 356 KB

english, 2009

5

Green Decomposition of Organic Dyes Using Octahedral Molecular Sieve Manganese Oxide Catalysts

Sriskandakumar, Thamayanthy, Opembe, Naftali, Chen, Chun-Hu, Morey, Aimee, King’ondu, Cecil, Suib, Steven L.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 1.35 MB

english, 2009

6

Supramolecular Lone Pair−π/π−π/π−Anion Assembly in a Mg(II)−Malonate−2-Aminopyridine−Nitrate Ternary System

Choudhury, Somnath Ray, Dey, Biswajit, Das, Suranjana, Gamez, Patrick, Robertazzi, Arturo, Chan, Kai-Ting, Lee, Hon Man, Mukhopadhyay, Subrata

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 232 KB

english, 2009

7

Theoretical Study on the Stability of Formylphenol and Formylaniline Compounds and Corresponding Radicals: O−H or N−H vs C−H Bond Dissociation

Gomes, José R. B.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 594 KB

english, 2009

8

Classification of OH Bonds and Infrared Spectra of the Topology-Distinct Protonated Water Clusters H 3 O + (H 2 O) n −1 ( n ≤ 7)

Jieli, Maihemutijiang, Aida, Misako

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 2.09 MB

english, 2009

9

Dispersion of Linear and Nonlinear Optical Susceptibilities in Calcium Neodymium Oxyborate Ca 4 NdO(BO 3 ) 3 −LDA versus GGA

Reshak, Ali H., Auluck, S., Kityk, I. V.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 647 KB

english, 2009

10

High-Pressure Effects on the Electronic Structure of Anthracene Single Crystals: Role of Nonhydrostaticity

Dreger, Z. A., Balasubramaniam, E., Gupta, Y. M., Joly, A. G.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 1.02 MB

english, 2009

11

A Systematic CCSD(T) Study of Long-Range and Noncovalent Interactions between Benzene and a Series of First- and Second-Row Hydrides and Rare Gas Atoms

Crittenden, Deborah L.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 100 KB

english, 2009

12

Metal−Phosphorus Bonding in Complexes W@Au 12 PX 3 (X = H, F, Cl, Br, I, Me, OMe) and [M@Au 12 ] q PH 3 (M q = Hf 2− , Ta − , W, Re + , Os 2+ , Ir 3+ , Pt 4+ , Au 5+ ): Relativistic DFT Investiga

Li, Jia, Qiu, Yi-Xiang, Wang, Shu-Guang

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 428 KB

english, 2009

13

Photodissociation of Isolated Ferric Heme and Heme-His Cations in an Electrostatic Ion Storage Ring

Lykkegaard, Morten Køcks, Zettergren, Henning, Kirketerp, Maj-Britt Suhr, Ehlerding, Anneli, Wyer, Jean Ann, Kadhane, Umesh, Nielsen, Steen Brøndsted

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 220 KB

english, 2009

14

Copper-Intercalated TiS 2 : Electrode Materials for Rechargeable Batteries as Future Power Resources

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 4.34 MB

english, 2009

15

Poly(amide imides) and Poly(ether imides) Containing 1,3,4-Oxadiazole or Pyridine Rings: Characterizations and Optical Properties

Grabiec, Eugenia, Kurcok, Malgorzata, Schab-Balcerzak, Ewa

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 337 KB

english, 2009

16

Infrared Spectra, Integrated Band Intensities, and Anharmonic Force Field of H 2 C=CHF

Stoppa, Paolo, Charmet, Andrea Pietropolli, Tasinato, Nicola, Giorgianni, Santi, Gambi, Alberto

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 129 KB

english, 2009

17

Molecular Dynamics Simulation of the Low-Temperature Partial Oxidation of CH 4

Page, Alister J., Moghtaderi, Behdad

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 1.23 MB

english, 2009

18

Polyisocyanides of Titanium

Rayón, Víctor M., Redondo, Pilar, Valdés, Haydee, Barrientos, Carmen, Largo, Antonio

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 363 KB

english, 2009

19

Conformational Stability from Rare Gas Solutions, r 0 Structural Parameters, Barriers to Internal Rotation, and Ab initio Calculations for Vinyl Silyl Fluoride

Nashed, Yasser E., Qtaitat, Mohammad A., Zheng, Chao, Zhou, Xiaohua, Guirgis, Gamil A., Sullivan, Joann F., Durig, James R.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 204 KB

english, 2009

20

High-Temperature Phase Transition Studies in a Novel Fast Ion Conductor, Na 2 Cd(SO 4 ) 2 , Probed by Raman Spectroscopy

Pradhan, Gopal K., Swain, Diptikanta, Guru Row, Tayur N., Narayana, Chandrabhas

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 664 KB

english, 2009

21

High Level ab Initio Energies and Structures for the Rotamers of 1,3-Butadiene

Feller, David, Craig, Norman C.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 212 KB

english, 2009

22

Very Strongly Ferromagnetically Coupled Diradicals from Mixed Radical Centers: Nitronyl Nitroxide Coupled to Oxoverdazyl via Polyene Spacers

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

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 710 KB

english, 2009

23

Isotopic Self-Exchange Reactions of Water: Evaluation of the Rule of the Geometric Mean in Liquid−Vapor Isotope Partitioning

Polyakov, V. B., Horita, J., Cole, D. R.

Journal:

Journal of Physical Chemistry A

Year:

2009

File:

PDF, 19 KB

2009

24

Application of the Stabilization Method to the π* Temporary Anion States of Benzene and Substituted Benzenes in Density Functional Theory

Cheng, Hsiu-Yao, Shih, Chun-Chi

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 954 KB

english, 2009

25

Multiple Bonding in the Chromium Dimer Supported by Two Diazadiene Ligands

DuPré, Donald B.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 1.00 MB

english, 2009

26

Large Nonstatistical Branching Ratio in the Dissociation of Pentane-2,4-dione Radical Cation: An Ab Initio Direct Classical Trajectory Study

Zhou, Jia, Schlegel, H. Bernhard

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 872 KB

english, 2009

27

An ab Initio Theoretical Study of the Electronic Structure of UO 2+ and [UO 2 (CO 3 ) 3 ] 5−

Ruipérez, Fernando, Danilo, Cécile, Réal, Florent, Flament, Jean-Pierre, Vallet, Valérie, Wahlgren, Ulf

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 126 KB

english, 2009

28

Three Products Are Better than Two: Entropic Advantages in the Competing Dissociation Reactions of Ionized Azo- t -butane

Rabaev, Madlena, Boulanger, Anne-Marie, Holland, David M. P., Shaw, David A., Mayer, Paul M.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 321 KB

english, 2009

29

Vibrational Energy Dynamics of Normal and Deuterated Liquid Benzene

Seong, Nak-Hyun, Fang, Ying, Dlott, Dana D.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 429 KB

english, 2009

30

Re-evaluation of the Pressure Effect for Nucleation in Laminar Flow Diffusion Chamber Experiments with Fluent and the Fine Particle Model

Herrmann, E., Hyvärinen, A.-P., Brus, D., Lihavainen, H., Kulmala, M.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 120 KB

english, 2009

31

Theoretical Study of Mechanism of 2,3-Dihydro-1,5-benzodiazepin-2-ones Hydrazinolysis

Okovytyy, Sergiy I., Sviatenko, Liudmyla K., Gaponov, Alexandr O., Tarabara, Igor N., Kasyan, Lilija I., Leszczynski, Jerzy

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 519 KB

english, 2009

32

Electronically Nonadiabatic Dynamics via Semiclassical Initial Value Methods

Miller, William H.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 193 KB

english, 2009

33

Kinetics of 1,4-Hydrogen Migration in the Alkyl Radical Reaction Class

Bankiewicz, Barbara, Huynh, Lam K., Ratkiewicz, Artur, Truong, Thanh N.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 1.26 MB

english, 2009

34

Supramolecular Modification of Ion Chemistry: Modulation of Peptide Charge State and Dissociation Behavior through Complexation with Cucurbit[ n ]uril ( n = 5, 6) or α-Cyclodextrin

Zhang, Haizhen, Grabenauer, Megan, Bowers, Michael T., Dearden, David V.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 1.09 MB

english, 2009

35

Solution Structure of the DNA Damage Lesion 8-Oxoguanosine from Ultraviolet Resonance Raman Spectroscopy

Jayanth, Namrata, Ramachandran, Srinivas, Puranik, Mrinalini

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 783 KB

english, 2009

36

High Level Theoretical Study of Benzene−Halide Adducts: The Importance of C−H−Anion Hydrogen Bonding

Coletti, Cecilia, Re, Nazzareno

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 324 KB

english, 2009

37

Constructing a Tunable Chemical Oscillator

Montoya, Fernando, Parmananda, P.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 85 KB

english, 2009

38

Computational Modeling Study on Formation of Acyclic Clavulanate Intermediates in Inhibition of Class A β-Lactamase: Water-Assisted Proton Transfer

Li, Rui, Feng, Dacheng, Feng, Shengyu

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 686 KB

english, 2009

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@1delivery.pm

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