Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.119, No.20 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (36 articles)

4667 - 4687	From ab Initio Potential Energy Surfaces to State-Resolved Reactivities: X + H2O <-> HX plus OH [X = F, Cl, and O(P-3)] Reactions Li J, Jiang B, Song HW, Ma JY, Zhao B, Dawes R, Guo H
4688 - 4694	Fabrication and Kinetics Study of Nano-Al/NiO Thermite Film by Electrophoretic Deposition Zhang DX, Li XM
4695 - 4710	A Model For Energy Transfer in Collisions of Atoms with Highly Excited Molecules Houston PL, Conte R, Bowman JM
4711 - 4717	Theoretical Studies on the Kinetics of Hydrogen Abstraction Reactions of H and CH3 Radicals from CH3OCH3 and Some of Their H/D lsotopologues Saheb V
4718 - 4722	Gas Solid Reaction Kinetics of ZnFe2O4 Formation from 907 to 1100 degrees C Suetens T, Guo MX, Van Acker K, Blanpain B
4723 - 4734	Tilt Behavior of an Octa-Peptide Nanotube in POPE and Affects on the Transport Characteristics of Channel Water Yu Y, Fan JF, Yan M, Xu J, Zhang MM
4735 - 4745	Kinetic Study of the Gas-Phase Reactions of Chlorine Atoms with 2-Chlorophenol, 2-Nitrophenol, and Four Methyl-2-nitrophenol Isomers Bejan I, Duncianu M, Olariu R, Barnes I, Seakins PW, Wiesen P
4746 - 4754	Theoretical Study of Mechanism and Dynamics on Reaction of (CH3)(2)NH with CH3 Gong SD, Luo Q, Wei GM
4755 - 4762	Experimental and Theoretical Study of the Decomposition of Copper Nitrate Cluster Anions Pruitt CJM, Goebbert DJ
4763 - 4779	First Predictions of Rotationally Resolved Infrared Spectra of Dideuteromethane ((CH2D2)-C-12) From Potential Energy and Dipole Moment Surfaces Rey M, Nikitin AV, Tyuterev VG
4780 - 4786	Spectral and Physicochemical Characterization of Dysprosium-Based Multifunctional Ionic Liquid Crystals Lu C, Das S, Siraj N, Magut PKS, Li M, Warner IM
4787 - 4799	Broadband Visible Light-Harvesting Naphthalenediimide (NDI) Triad: Study of the Intra-/Intermolecular Energy/Electron Transfer and the Triplet Excited State Wu S, Zhong FF, Zhao JZ, Guo S, Yang WB, Fyles T
4800 - 4812	Correlating Photoacidity to Hydrogen-Bond Structure by Using the Local O-H Stretching Probe in Hydrogen-Bonded Complexes of Aromatic Alcohols Psciuk BT, Premont-Schwarz M, Koeppe B, Keinan S, Xiao DQ, Nibbering ETJ, Batista VS
4813 - 4824	Interligand Electron Transfer in Heteroleptic Ruthenium(II) Complexes Occurs on Multiple Time Scales Stark CW, Schreier WJ, Lucon J, Edwards E, Douglas T, Kohler B
4825 - 4833	Enhanced Electric Dipole Transition in Lanthanide Complex with Organometallic Ruthenocene Units Hasegawa Y, Sato N, Hirai Y, Nakanishi T, Kitagawa Y, Kobayashi A, Kato M, Seki T, Ito H, Fushimi K
4834 - 4845	Interpretation of Semiclassical Transition Moments through Wave Function Expansion of Dipole Moment Functions with Applications to the OH Stretching Spectra of Simple Acids and Alcohols Takahashi H, Takahashi K, Yabushita S
4846 - 4855	Photoactive High Explosives: Linear and Nonlinear Photochemistry of Petrin Tetrazine Chloride Greenfield MT, McGrane SD, Bolme CA, Bjorgaard JA, Nelson TR, Tretiak S, Scharff RJ
4856 - 4863	Subfemtosecond Quantum Nuclear Dynamics in Water Isotopomers Rao BJ, Varandas AJC
4864 - 4874	Conformational Stability and Thermal Pathways of Relaxation in Triclosan (Antibacterial/Excipient/Contaminant) in Solid-State: Combined Spectroscopic (H-1 NMR) and Computational (Periodic DFT) Study Latosinska JN, Latosinska M, Tomczak MA, Medycki W
4875 - 4884	Ring Planarity Problem of 2-Oxazoline Revisited Using Microwave Spectroscopy and Quantum Chemical Calculations Samdal S, Mollendal H, Reine S, Guillemin JC
4885 - 4890	The Large Variation in Acidity of Diethyl Ether Cation Induced by Internal Rotation about a Single Covalent Bond Matsuda Y, Endo T, Mikami N, Fujii A, Morita M, Takahashi K
4891 - 4897	The Effect of the Particle Size on the Fundamental Vibrations of the [CO32-] Anion in Calcite Kristova P, Hopkinson LJ, Rutt KJ
4898 - 4906	Directional Control of pi-Conjugation Enabled by Distortion of the Donor Plane in Diarylaminoanthracenes: A Photophysical Study Sasaki S, Hattori K, Igawa K, Konishi G
4907 - 4914	Photolysis of Nitric Acid at 308 nm in the Absence and in the Presence of Water Vapor Zhu L, Sangwan M, Huang L, Du J, Chu LT
4915 - 4922	Trihydrogen Cation with Neon and Argon: Structural, Energetic, and Spectroscopic Data from Quartic Force Fields Theis RA, Fortenberry RC
4923 - 4932	Singlet-Triplet Energy Gaps for Diradicals from Particle Particle Random Phase Approximation Yang Y, Peng DG, Davidson ER, Yang WT
4933 - 4938	Performance Test of Multicomponent Quantum Mechanical Calculation with Polarizable Continuum Model for Proton Chemical Shift Kanematsu Y, Tachikawa M
4939 - 4952	Comprehensive Study of Methylation on the Silicon (100)-2 x 1 Surface: A Density Functional Approach Debnath T, Sen K, Ghosh D, Banu T, Das AK
4953 - 4960	Thermochemical Study of 1-Acetyl Vinyl p-Nitrobenzoate: Vinyl Bond Enthalpy in Captodative Olefins Rojas A, Valdes-Ordonez A, Martinez-Herrera M, Torres LA, Campos M, Hernandez-Obregon J, Herrera R, Tamariz J
4961 - 4971	Thermodynamic Properties of Gaseous Ruthenium Species Miradji F, Souvi S, Cantrel L, Louis F, Vallet V
4972 - 4982	Local Aromaticity in Naphtho-Annelated Fluoranthenes: Can the Five-Membered Rings Be More Aromatic Than the Six-Membered Rings? Radenkovic S, Tosovic J, Nikolic JD
4983 - 4992	Lithium Ion-Water Clusters in Strong Electric Fields: A Quantum Chemical Study Daub CD, Astrand PO, Bresme F
4993 - 5008	QTAIM-Based Comparison of Agostic Bonds and Intramolecular Charge-Inverted Hydrogen Bonds Jablonski M
5009 - 5018	Can a Secondary Isotope Effect Be Larger than a Primary? Perrin CL, Burke KD
5019 - 5025	Topological Ring-Current and Bond-Current Properties of the Altans of Certain K-Factorizable Conjugated Systems Containing "Fixed" Single-Bonds Dickens TK, Mallion RB
5026 - 5037	The Photoinduced E -> Z Isomerization of Bisazobenzenes: A Surface Hopping Molecular Dynamics Study Floss G, Saalfrank P