화학공학소재연구정보센터

Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.115, No.8 Entire volume, number list
ISSN: 1089-5639 (Print) 

In this Issue (18 articles)

1305 - 1312 Photodissociation Dynamics of Acetophenone and Its Derivatives with Intense Nonresonant Femtosecond Pulses
Zhu X, Lozovoy VV, Shah JD, Dantus M
1313 - 1319 Low-Frequency Spectra of Metallocenium Ionic Liquids Studied by Terahertz Time-Domain Spectroscopy
Chakraborty A, Inagaki T, Banno M, Mochida T, Tominaga K
1320 - 1330 Electronic Structure of Trioxide, Oxoperoxide, Oxosuperoxide, and Ozonide Clusters of the 3d Elements: Density Functional Theory Study
Uzunova EL
1331 - 1339 Theoretical Study of Specific Solvent Effects on the Optical and Magnetic Properties of Copper(II) Acetylacetonate
de Almeida KJ, Ramalho TC, Rinkevicius Z, Vahtras O, Agren H, Cesar A
1340 - 1349 pH-Dependent Chirality of L-Proline Studied by Raman Optical Activity and Density Functional Theory Calculation
Qiu S, Li GN, Wang P, Zhou J, Feng ZC, Li C
1350 - 1357 Theoretical Study on the Gas Phase Reaction of Sulfuric Acid with Hydroxyl Radical in the Presence of Water
Long B, Zhang WJ, Tan XF, Long ZW, Wang YB, Ren DS
1358 - 1363 Effect of Structure on the Rate Constants for Reaction of NO3 Radicals with a Series of Linear and Branched C-5-C-7 1-Alkenes at 296+/-2 K
Aschmann SM, Atkinson R
1364 - 1370 Comparative Studies on the Reactions of Acetyl and Thioacetyl Halides with NH3 in the Gas Phase and in Aqueous Solution: A Theoretical Study
Han IS, Kim CK, Sohn CK, Ma EK, Lee HW, Kim CK
1371 - 1379 Photoswitching Magnetic Crossover in Organic Molecular Systems
Saha A, Latif IA, Datta SN
1380 - 1384 CH2Cl2+OH- Reaction in Aqueous Solution: A Combined Quantum Mechanical and Molecular Mechanics Study
Wang DY, Valiev M, Garrett BC
1385 - 1395 Charge Transfer via the Dative N-B Bond and Dihydrogen Contacts. Experimental and Theoretical Electron Density Studies of Four Deltahedral Boranes
Mebs S, Kalinowski R, Grabowsky S, Forster D, Kickbusch R, Justus E, Morgenroth W, Paulmann C, Luger P, Gabel D, Lentz D
1396 - 1407 Study on Potassium iso-Propylxanthate and Its Decomposition Products: Experimental C-13 CP/MAS NMR Combined with DFT Calculations
Larsson AC, Obergs S
1408 - 1417 Theoretical Investigations on the Mechanism of Benzoin Condensation Catalyzed by Pyrido[1,2-a]-2-ethyl[1,2,4]triazol-3-ylidene
He YQ, Xue Y
1418 - 1422 Electric Field-Driven Acid Base Chemistry: Proton Transfer from Acid (HCl) to Base (NH3/H2O)
Zhou ZJ, Li XP, Liu ZB, Li ZR, Huang XR, Sun CC
1423 - 1432 Spectrochemical Series and the Dependence of Racah and 10Dq Parameters on the Metal-Ligand Distance: Microscopic Origin
Trueba A, Garcia-Fernandez P, Garcia-Lastra JM, Aramburu JA, Barriuso MT, Moreno M
1433 - 1439 Interpretation of Intermolecular Geometric Isotope Effect in Hydrogen Bonds: Nuclear Orbital plus Molecular Orbital Study
Ikabata Y, Imamura Y, Nakai H
1440 - 1451 Ab Initio Coupled Cluster Determination of the Heats of Formation of C2H2F2, C2F2, and C2F4
Feller D, Peterson KA, Dixon DA
1452 - 1452 DFT Calculations of Indirect Si-29-H-1 Spin Spin Coupling Constants in Organoalkoxysilanes (vol 114, pg 5279, 2010)
Ambati J, Rankin SE