Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.119, No.29 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (35 articles)

7951 - 7965	Multilayer Multiconfiguration Time-Dependent Hartree Theory Wang HB
7966 - 7972	Pyrolysis Reactions of 3-Oxetanone Wright EM, Warner BJ, Foreman HE, McCunn LR
7973 - 7979	Fluorescence Characteristics of [(Benzoyloxy)methyl]anthracene Donor-Acceptor Systems Dissanayake DP, De Costa MDP
7980 - 7990	Infrared and Near-Infrared Spectroscopy of Acetylacetone and Hexafluoroacetylacetone Howard DL, Kjaergaard HG, Huang J, Meuwly M
7991 - 7999	Terahertz Spectroscopy and Solid-State Density Functional Theory Calculations of Cyanobenzaldehyde Isomers Dash J, Ray S, Nallappan K, Kaware V, Basutkar N, Gonnade RG, Ambade AV, Joshi K, Pesala B
8000 - 8009	Photoelectron Spectroscopy and Ionic Fragmentation of OSeCl2 and Its Analogue OSCl2 under VUV Irradiation Gerones M, Pirani LSR, Erben MF, Romano RM, Cavasso RL, Tong SR, Ge MF, Della Vedova CO
8010 - 8020	Carpenter's Rule Folding in Rigid-Flexible Block Copolymers with Conjugation-Interrupting, Flexible Tethers Between Oligophenylenevinylenes Lucas JM, Labastide JA, Wei L, Tinkham JS, Barnes MD, Lahti PM
8021 - 8030	Photofragmentation Mechanisms of Chlorosulfonyl Isocyanate, CISO2NCO, Excited with Synchrotron Radiation between 12 and 550 eV Betancourt AM, Bava YB, Martinez YB, Erben MF, Cavasso RL, Della Vedova CM, Romano RM
8031 - 8039	First-Principles Study on Structural, Electronic, and Spectroscopic Properties of gamma-Ca2SiO4:Ce3+ Phosphors Wen J, Ning LX, Duan CK, Zhan SB, Huang YC, Zhang J, Yin M
8040 - 8048	Large Dipolar Spin-Spin Interaction in a Photogenerated U-Shaped Triradical Gardner DM, Chen HF, Krzyaniak MD, Ratner MA, Wasielewski MR
8049 - 8054	SERS and NMR Studies of Typical Aggregation-Induced Emission Molecules Fang C, Xie YJ, Johnston MR, Ruan YL, Tang BZ, Peng Q, Tang YH
8055 - 8061	Release of Oxygen from Palladium Oxide Cluster Ions by Heat Miyajima K, Mafune F
8062 - 8075	Influence of Temperature on the Rotameric Forms of the Propyl Acetate Molecule: Raman and FTIR Spectroscopic Studies Aided by ab Initio and Car-Parrinello Molecular Dynamics Simulations Dutta B, Tanaka T, Chowdhury J
8076 - 8082	3D Coincidence Imaging Disentangles Intense Field Double Detachment of SF6- Kandhasamy DM, Albeck Y, Jagtap K, Strasser D
8083 - 8089	Carbon Nanohoops: Excited Singlet and Triplet Behavior of Aza[8]CPP and 1,15-Diaza[8]CPP Hines DA, Darzi ER, Hirst ES, Jasti R, Kamat PV
8090 - 8096	VUV Photodissociation Dynamics of Nitrous Oxide: The O(S-1(j=0)) and O(P-3(j=2,1,0)) Product Channels Yu SR, Yuan DF, Chen WT, Yang XM, Wang XA
8097 - 8105	Solvent Effects on the Encapsulation of Divalent Ions by Benzo-18-Crown-6 and Benzo-15-Crown-5 Inokuchi Y, Ebata T, Rizzo TR
8106 - 8116	Fluorescence Enhancement/Quenching Based on Metal Orbital Control: Computational Studies of a 6-Thienyllumazine-Based Mercury Sensor Afaneh AT, Schreckenbach G
8117 - 8124	Time-Resolved Electron Paramagnetic Resonance Study of Photoinduced Electron Transfer in Pd Porphyrin-Quinone and Zn Porphyrin-Quinone Dyads with a Cyclohexylene Spacer Perchanova M, Kurreck H, Berg A
8125 - 8132	Infrared Spectroscopy of OH center dot center dot CH3OH: Hydrogen-Bonded Intermediate Along the Hydrogen Abstraction Reaction Path Hernandez FJ, Brice JT, Leavitt CM, Pino GA, Douberly GE
8133 - 8138	Solid-State O-17 NMR of Oxygen-Nitrogen Singly Bonded Compounds: Hydroxylammonium Chloride and Sodium Trioxodinitrate (Angeli's Salt) Lu JS, Kong XQ, Terskikh V, Wu G
8139 - 8145	Structure and Redox Properties of 5-Amino-3-nitro-1H-1,2,4-triazole (ANTA) Adsorbed on a Silica Surface: A DFT M05 Computational Study Sviatenko LK, Gorb L, Hill FC, Leszczynska D, Leszczynski J
8146 - 8155	Photo-oxidation of Acetone to Formic Acid in Synthetic Air and Its Atmospheric Implication Chattopadhyay A, Chatterjee P, Chakraborty T
8156 - 8162	Understanding the Highly Varying pK(a) of Arylamines. A Perspective from the Average Local Ionization Condensed-to-Atom Framework Chamorro E, Duque-Norena M
8163 - 8173	Time-Dependent Density Functional Theory Investigation of the Electronic Structure and Chiroptical Properties of Curved and Helical Silver Nanowires Karimova NV, Aikens CM
8174 - 8181	Exploring Second-Order Nonlinear Optical Properties and Switching Ability of a Series of Dithienylethene-Containing, Cyclometalated Platinum Complexes: A Theoretical Investigation Lin J, Sa RJ, Zhang MX, Wu KC
8182 - 8187	Fluorescence Spectra of (Dibenzoylmethanato)boron Difluoride Exciplexes with Aromatic Hydrocarbons: A Theoretical Study Safonov AA, Bagaturyants AA, Sazhnikov VA
8188 - 8201	Ground and Excited States Of OH-(H2O)(n) Clusters Zanuttini D, Gervais B
8202 - 8215	Thermochemical Properties Enthalpy, Entropy, and Heat Capacity of C1-C4 Fluorinated Hydrocarbons: Fluorocarbon Group Additivity Wang H, Castillo A, Bozzelli JW
8216 - 8224	Computational Study of Chemical Reactivity Using Information-Theoretic Quantities from Density Functional Reactivity Theory for Electrophilic Aromatic Substitution Reactions Wu WJ, Wu ZM, Rong CY, Lu T, Huang Y, Liu SB
8225 - 8236	Can Nitriles Be Stronger Bases Than Proton Sponges in the Gas Phase? A Computational Analysis Raczynska ED, Makowski M, Maria PC, Gal JF
8237 - 8249	Experimental Design of Formulations Utilizing High Dimensional Model Representation Li GY, Bastian C, Welsh W, Rabitz H
8250 - 8255	Molecular Design and Property Prediction for a Series of Novel Dicyclic Cyclotrimethylene Trinitramines (RDX) Derivatized as High Energy Density Materials Shen C, Wang PC, Lu M
8256 - 8257	Comment on "The Mechanism of Pyrolysis of Benzyl Azide: Spectroscopic Evidence for Benzenemethanimine Formation" Wentrup C
8258 - 8259	Reply to "Comment on'The Mechanism of Pyrolysis of Benzyl Azide: Spectroscopic Evidence for Benzemethanimine Formation"' Pinto RM, Guerra M, Costa ML, Dias AA