Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.120, No.43 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (29 articles)

8485 - 8487	Viewpoints on the 2016 Theory and Applications of Computational Chemistry Conference Zhou TC, Goings JJ, Lin Z
8488 - 8502	Chemical Reaction Rate Coefficients from Ring Polymer Molecular Dynamics: Theory and Practical Applications Suleimanov YV, Aoiz FJ, Guo H
8503 - 8511	Reaction Kinetics of HBr with HO2: A New Channel for Isotope Scrambling Reactions Church JR, Skodje RT
8512 - 8520	Mechanistic Insights into Oxidative Oligomerization of p-Phenylenediamine and Resorcinol Bailey AD, Murphy BP, Guan HR
8521 - 8528	Characterization of Free Radicals in Clathrate Hydrates of Furan, 2,3-Dihydrofuran, and 2,5-Dihydrofuran by Muon Spin Spectroscopy Mozafari M, Brodovitch JC, Chandrasena L, Percival PW
8529 - 8536	Order of Magnitude Dissociative Ionization Enhancement Observed for Pulses with High Order Dispersion Nairat M, Lozovoy VV, Dantus M
8537 - 8549	Microwave Plasma-Activated Chemical Vapor Deposition of Nitrogen-Doped Diamond. II: CH4/N-2/H-2 Plasmas Truscott BS, Kelly MW, Potter KJ, Ashfold MNR, Mankelevich YA
8550 - 8563	Gadolinium (Gd) Oxide, Carbide, and Carbonyl Cation Bond Energies and Evaluation of the Gd plus O -> GdO+ + e(-) Chemi-Ionization Reaction Enthalpy Demireva M, Kim J, Armentrout PB
8564 - 8573	Novel TiO2/C3N4 Photocatalysts for Photocatalytic Reduction of CO2 and for Photocatalytic Decomposition of N2O Reli M, Huo PW, Sihor M, Ambrozova N, Troppova I, Matejova L, Lang J, Svoboda L, Kustrowski P, Ritz M, Praus P, Koci K
8574 - 8583	Near-Edge X-ray Absorption Fine Structure Investigation of the Quasi-One-Dimensional Organic Conductor (TMTSF)(2)PF6 Medjanik K, Chernenkaya A, Kozina X, Nepijko SA, Ohrwall G, Foury-Leylekian P, Alemany P, Schonhense G, Canadell E, Pouget JP
8584 - 8589	Detection of the Excited-State NH2 ((A)over-tilde (2)A(1)) in the Ultraviolet Photodissociation of Methylamine Onitsuka Y, Yamasaki K, Goto H, Kohguchi H
8590 - 8598	Infrared Spectra of Novel NgBeSO(2) Complexes (Ng = Ne, Ar, Kr, Xe) in Low Temperature Matrixes Yu WJ, Liu X, Xu B, Xing XP, Wang XF
8599 - 8605	Geometrical Structures of Partially Oxidized Rhodium Cluster Cations, Rh6Om+ (m=4, 5, 6), Revealed by Infrared Multiple Photon Dissociation Spectroscopy Koyama K, Nagata T, Kudoh S, Miyajima K, Huitema DMM, Chernyy V, Bakker JM, Mafune F
8606 - 8612	Direct Observation of a Dark State in the Photocycle of a Light-Driven Molecular Motor Amirjalayer S, Cnossen A, Browne WR, Feringa BL, Buma WJ, Woutersen S
8613 - 8624	Effect of Conformers on Free Energies of Atmospheric Complexes Partanen L, Vehkamaki H, Hansen K, Elm J, Henschel H, Kurten T, Halonen R, Zapadinsky E
8625 - 8636	Resonance Stabilization Effects on Ketone Autoxidation: Isomer-Specific Cyclic Ether and Ketohydroperoxide Formation in the Low-Temperature (400-625 K) Oxidation of Diethyl Ketone Scheer AM, Eskola AJ, Osborn DL, Sheps L, Taatjes CA
8637 - 8644	Intraparticulate Metal Speciation Analysis of Soft Complexing Nanoparticles. The Intrinsic Chemical Heterogeneity of Metal-Humic Acid Complexes Town RM, van Leeuwen HP
8645 - 8656	Probing the Heterogeneous Ozonolysis of Squalene Nanoparticles by Photoemission Jacobs MI, Xu B, Kostko O, Heine N, Ahmed M, Wilson KR
8657 - 8679	Controlling the Dynamics of Quadrupolar Spin-1 Nuclei by Means of Average Hamiltonian Theory When Irradiated with Modified Composite Quadrupolar Echo Pulse Sequences Mananga ES, Hu BW
8680 - 8685	Reactivity Indexes of Fullerene and Bismullene Mixed Clusters: How the Intruders Modify the Properties Martinez A
8686 - 8690	Microwave Spectra, Structure, and Ring-Puckering Vibration of Octafluorocyclopentene Long BE, Arsenault EA, Obenchain DA, Choi YJ, Ocola EJ, Laane J, Pringle WC, Cooke SA
8691 - 8698	Spin-Forbidden Transitions between Electronic States in the Active Site of Rubredoxin dePolo GE, Kaliakin DS, Varganov SA
8699 - 8715	Ab initio Molecular Dynamics Study of H-2 Formation inside POSS Compounds. 2. The Effect of an Encapsulated Hydrogen Molecule Kudo T, Taketsugu T, Gordon MS
8716 - 8724	Structures of Metalloporphyrin-Oligomer Multianions: Cofacial versus Coplanar Motifs as Resolved by Ion Mobility Spectrometry Brendle K, Schwarz U, Jager P, Weis P, Kappes M
8725 - 8737	Adsorption, Dissociation, and Dehydrogenation of Water Monomer and Water Dimer on the Smallest 3D Aluminum Particle. The O-H Dissociation Barrier Disappears for the Dimer Moc J
8738 - 8749	Understanding Binding of Cyano-Adamantyl Derivatives to Pillar[6]arene Macrocycle from Density Functional Theory Bhadane SA, Lande DN, Gejji SP
8750 - 8760	Reparameterization of PM6 Applied to Organic Diradical Molecules Saito T, Kitagawa Y, Takano Y
8761 - 8768	Highly Efficient Free Energy Calculations of the Fe Equation of State Using Temperature-Dependent Effective Potential Method Mosyagin I, Hellman E, Olovsson W, Simak SI, Abrikosov IA
8769 - 8779	Modern Valence-Bond Description of Homoaromaticity Karadakov PB, Cooper DL