Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.120, No.1 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (20 articles)

1 - 4	Editorial for January 2016 for JPC A/B/C McCoy AB, Shea JE, Murphy CJ, Schatz GC
5 - 13	Quasiclassical Trajectory Study on the Role of CH -Stretching Vibrational Excitation in the F(P-2) + CHD3(v(1)=0,1) Reactions Espinosa-Garcia J
14 - 27	Solvent Polarity Tunes the Barrier Height for Twisted Intramolecular Charge Transfer in N-Pyrrolobenzonitrile (PBN) Bohnwagner MV, Burghardt I, Dreuw A
28 - 35	Transient IR Spectroscopic Observation of Singlet and Triplet States of 2-Nitrofluorene: Revisiting the Photophysics of Nitroaromatics Larsen MAB, Thogersen J, Stephansen AB, Peon J, Solling TI, Keiding SR
36 - 43	Excitation Spectra of Nucleobases with Multiconfigurational Density Functional Theory Hubert M, Jensen HJA, Hedegardt ED
44 - 54	Effect of an Electron -Donating Substituent at the 3',4'-position of 3-Hydroxyflavone: Photophysics in Bulk Solvents Ghosh D, Ahamed G, Batuta S, Begum NA, Mandal D
55 - 67	Broadband Microwave Spectroscopy of Prototypical Amino Alcohols and Polyamines: Competition between H-Bonded Cycles and Chains Zhang D, Bocklitz S, Zwier TS
68 - 73	Well-Known Mediators of Selective Oxidation with Unknown Electronic Structure: Metal-Free Generation and EPR Study of Imide-N-oxyl Radicals Krylov IB, Kompanets MO, Novikova KV, Opeida IO, Kushch OV, Shelimov BN, Nikishin GI, Levitsky DO, Terent'ev AO
74 - 80	Spectroscopic and Theoretical Study of the Intramolecular i pi-Type Hydrogen Bonding and Conformations of 2-Cyclohexen-1-ol Ocola EJ, Laane J
81 - 94	Vibrational Spectra and Theoretical Calculations of cis- and trans-3Fluoro-N-methylaniline in the Neutral (S-0) and Cationic (D-0) Ground States Zhang LJ, Liu S, Cheng M, Du YK, Zhu QH
95 - 105	High-Resolution Far-Infrared Spectroscopy of N-Substituted Two-Ring Polycyclic Aromatic Hydrocarbons: An Extended Study Gruet S, Pirali O, Goubet M, Tokaryk DW, Brechignac P
106 - 117	Production and Fate of C-4 Dihydroxycarbonyl Compounds from Isoprene Oxidation Bates KH, Nguyen TB, Teng AP, Crounse JD, Kjaergaard HG, Stoltz BM, Seinfeld JH, Wennberg PO
118 - 127	VUV-Photocatalytic Degradation of Bezafibrate by Hydrothermally Synthesized Enhanced {001} Facets TiO2/Ti Film Sayed M, Fu PF, Shah LA, Khan HM, Nisar J, Ismail M, Zhang PY
128 - 138	Theoretical Insights on the Interaction of N -Heterocyclic Carbenes with Tetravalent Silicon Reagents Pathak D, Deuri S, Phukan P
139 - 144	Reaction Sites of CO on Size-Selected Silicon Oxide Cluster Anions: A Model Study of Chemistry in the Interstellar Environment Arakawa M, Yamane R, Terasaki A
145 - 152	Mechanisms of Hydrogen Generation from Tetrameric Clusters of Lithium Amidoborane Pomogaeva AV, Morokuma K, Timoshkin AY
153 - 160	What Are the Ground State Structures of C-20 and C-24? An Explicitly Correlated Ab Initio Approach Manna D, Martin JML
161 - 168	Effect of Co-Ordination Chemistry and Oxidation State on the Pb-207 Magnetic-Shielding Tensor: A DFT/ZORA Investigation Alkan F, Dybowski C
169 - 170	Comment on "Insights into the Electronic Structure of Ozone and Sulfur Dioxide from Generalized Valence Bond Theory: Bonding in O-3 and SO2" Apostolos K
171 - 172	Reply to "Comment on'Insights into the Electronic Structure of Ozone and Sulfur Dioxide from Generalized Valence Bond Theory: Bonding in O-3 and SO2" Dunning TH, Takeshita TY, Lindquist BA