Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.123, No.45 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (25 articles)

9637 - 9643	Collisional Excitation of CF+ by H-2: Potential Energy Surface and Rotational Cross Sections Desrousseaux B, Quintas-Sanchez E, Dawes R, Lique F
9644 - 9657	Reaction Pathways, Thermodynamics, and Kinetics of Cyclopentanone Oxidation Intermediates: A Theoretical Approach Khanniche S, Green WH
9658 - 9668	Competitive Gas Phase Reactions for the Production of Isomers C2O2H4. Spectroscopic Constants of Methyl Formate Gamez V, Senent ML, Carvajal M, Galano A
9669 - 9681	Unusual Chemistry in an Uncatalyzed Bromate-Aniline Oscillator: Ring-Contraction Oxidation of Aniline with Pulsative CO2 Production Valent I, Pribus M, Novak F, Plankova S, Blasko J, Kubinec R, Almassy A, Filo J, Sigmundova I, Sebechlebska T, Lawson TB, Noszticzius Z
9682 - 9692	Investigation of the Absorption Cross Section of Phenyl Radical and Its Kinetics with Methanol in the Gas Phase Using Cavity Ring-Down Spectroscopy and Theoretical Methodologies Mondal K, Kaipara R, Rajakumar B
9693 - 9700	Homocoupling and Heterocoupling of Grignard Perfluorobenzene Reagents via Aryne Intermediates: A DFT Study Gutsev LG, Gutsev GL, Tibbetts KM, Jena P
9701 - 9711	X-ray and UV Spectra of Glycine within Coupled Cluster Linear Response Theory Myhre RH, Coriani S, Koch H
9712 - 9720	Geometrical and Electronic Structure, Stability, and Optical Absorption Spectra Comparisons between Thiolate- and Chloride-Stabilized Gold Nanoclusters Kuda-Singappulige GU, Aikens CM
9721 - 9728	Stability of "No-Pair Ferromagnetic" Lithium Clusters Rincon L, Torres FJ, Zambrano CH, Becerra M, Burgos JL, Almeida R, Liu SB
9729 - 9736	Distinguishing between Structural Models of beta '-Sialons Using a Combined Solid-State NMR, Powder XRD, and Computational Approach Seymour VR, Smith ME
9737 - 9752	Resultant Information Description of Electronic States and Chemical Processes Nalewajski RF
9753 - 9762	Dynamic Polarizability and Higher-Order Electric Properties of Fluorene, Carbazole, and Dibenzofuran Skrzynski G, Radula-Janik K, Kupka T, Pluta T
9763 - 9769	Orientation-Dependent Proton Relaxation of Water Molecules Trapped in Solids: Crystallites with Long-Lived Magnetization Carnevale D, Marhabaie S, Pelupessy P, Bodenhausen G
9770 - 9780	Plasmon-Induced Dimerization of Thiazolidine-2,4-dione on Silver Nanoparticles: Revealed by Surface-Enhanced Raman Scattering Study Kumar N, Thomas S, Rao R, Maiti N, Kshirsagar RJ
9781 - 9790	Room-Temperature FTIR Spectra of the Cyclic S-4 (H2O)(4) Cluster in Crystalline Li-2(H2O)(4)(B12F12): Observation of B and E nu(OH) Bands and Coupling of Strong O-H center dot center dot center dot O and Weak O-H center dot center dot center dot F Vibrations Lacroix MR, Liu Y, Strauss SH
9791 - 9799	Theoretical Study of the Potential Energy Profile of the HBr+ + CO2 -> HOCO+ + Br center dot Reaction Shoji A, Schanzenbach D, Merrill R, Zhang JX, Yang L, Sun R
9800 - 9808	Benchmarking DFT-D Dispersion Corrections for Anharmonic Vibrational Frequencies and Harmonic Scaling Factors Hanson-Heine MWD
9809 - 9817	Calculation of Chemical Reaction Barrier Heights by Multiconfiguration Pair-Density Functional Theory with Correlated Participating Orbitals Sand AM, Kidder KM, Truhlar DG, Gagliardi L
9818 - 9827	Accurate Thermochemistry of Novel Energetic Fused Tricyclic 1,2,3,4-Tetrazine Nitro Derivatives from Local Coupled Cluster Methods Vitaly Kiselev VG, Goldsmith CF
9828 - 9839	Are Fully Conjugated Expanded Indenofluorenes Analogues and Diindeno[n]thiophene Derivatives Diradicals? A Simplified (Spin-Flip) Time-Dependent Density Functional Theory [(SF-)sTD-DFT] Study de Wergifosse M, Seibert J, Champagne B, Grimme S
9840 - 9849	Internal Motions and Sulfur Hydrogen Bonding in Methyl 3-Mercaptopropionate Silva WGDP, Evangelisti L, van Wijngaarden J
9850 - 9856	Free Energy Profile of a Model Palladium Catalyzed Fluorination of Aryl Bromide with Cesium Fluoride Pliego JR
9857 - 9864	Experimental Study of Effective Mass and Spin-Orbital Energy of the Al2O3/NiO Nanoheterostructure Material Munusamy G, Mani R, Varadharajan K, Narasimhan S
9865 - 9873	Multicomponent Analysis of Phasor Plot in a Single Pixel to Calculate Changes of Metabolic Trajectory in Biological Systems Ranjit S, Datta R, Dvornikov A, Gratton E
9874 - 9880	On the Impact of Singularities in the Two-State Adiabatic to Diabatic State Transformation: A Global Treatment Wang YC, Guan YF, Yarkony DR