Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.116, No.36 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (31 articles)

8925 - 8933	Formation of Complex Organics in the Gas Phase by Sequential Reactions of Acetylene with the Phenylium Ion Soliman AR, Hamid AM, Momoh PO, El-Shall MS, Taylor D, Gallagher L, Abrash SA
8934 - 8941	A Spectroscopic Approach to the Solvation of Anesthetics in Jets: Propofol(H2O)(n), n=4-6 Leon I, Cocinero EJ, Lesarri A, Castano F, Fernandez JA
8942 - 8948	Enhanced Photoinduced Electron-Transfer Reduction of Li+@C-60 in Comparison with C-60 Kawashima Y, Ohkubo K, Fukuzumi S
8949 - 8958	Solid Phase Excitation-Emission Fluorescence Method for the Classification of Complex Substances: Cortex Phellodendri and Other Traditional Chinese Medicines as Examples Gu Y, Ni YN, Kokot S
8959 - 8964	Exciton Coupling Analysis and Enolization Monitoring by Vibrational Circular Dichroism Spectra of Camphor Diketones Wu T, You XZ
8965 - 8971	Direct Simulations of Anharmonic Infrared Spectra Using Quantum Mechanical/Effective Fragment Potential Molecular Dynamics (QM/EFP-MD): Methanol in Water Ghosh MK, Lee J, Choi CH, Cho M
8972 - 8979	Doubly Hydrogen Bonded Dimer of delta-Valerolactam: Infrared Spectrum and Intermode Coupling Pandey P, Chakraborty T
8980 - 8988	Infrared and Electronic Spectra of Radicals Produced from 2-Naphthol and Carbazole by UV-Induced Hydrogen-Atom Eliminations Sekine M, Sekiya H, Nakata M
8989 - 9000	Experimental and Theoretical Investigation of Homogeneous Gaseous Reaction of CO2(g) + nH(2)O(g) + nNH(3)(g) -> Products (n=1, 2) Li ZJ, Zhang BQ
9001 - 9009	Atomic Force Microscopy and X-ray Photoelectron Spectroscopy Study of NO2 Reactions on CaCO3 (10(1)over-bar4) Surfaces in Humid Environments Baltrusaitis J, Grassian VH
9010 - 9019	Oxidation Mechanism of Aliphatic Ethers: Theoretical Insights on the Main Reaction Channels Di Tommaso S, Rotureau P, Adamo C
9020 - 9026	Three Contra-Rotating Currents from a Rational Design of Polycyclic Aromatic Hydrocarbons: altan-Corannulene and altan-Coronene Monaco G, Zanasi R
9027 - 9032	A Computational Study of Lithium Cuprate Mixed Aggregates Chau NDK, Thach LN, Iwasaki T, Kambe N, Boguslavskiy AA, Pratt LM
9033 - 9057	Database of Small Molecule Thermochemistry for Combustion Goldsmith CF, Magoon GR, Green WH
9058 - 9070	Theoretical Investigation of Selenium Interferences in Inductively Coupled Plasma Mass Spectrometry Bouchoux G, Rashad AM, Helal AI
9071 - 9079	Divalent N(I) Character in 2-(Thiazol-2-yl)guanidine: An Electronic Structure Analysis Bhatia S, Bagul C, Kasetti Y, Patel DS, Bharatam PV
9080 - 9087	Exploring Hydrogenation and Fluorination in Curved 2D Carbon Systems: A Density Functional Theory Study on Corannulene dos Santos RB, Rivelino R, Mota FD, Gueorguiev GK
9088 - 9099	Analysis of Solute-Solvent Interactions in the Fragment Molecular Orbital Method Interfaced with Effective Fragment Potentials: Theory and Application to a Solvated Griffithsin-Carbohydrate Complex Nagata T, Fedorov DG, Sawada T, Kitaura K
9100 - 9109	Electronic Spectra of Cycl[3.3.2]azine and Related Compounds: Solvent Effect on Vibronic Couplings Shigemitsu Y, Uejima M, Sato T, Tanaka K, Tominaga Y
9110 - 9115	Computational Analysis of the Nature and Strength of the Supramolecular Contacts Involved in the Binding of Chloride Anions by Imidazolium-Based Cyclic Receptors Garcia JS, Rodriguez L, Gamez P, Robertazzi A
9116 - 9122	Semiexperimental Equilibrium Structure of the Lower Energy Conformer of Glycidol by the Mixed Estimation Method Demaison J, Craig NC, Conrad AR, Tubergen MJ, Rudolph HD
9123 - 9130	Toward Design of Ag(I) and Au(I) Complexes with Planar Tetracoordinate Carbon Using Novel Ligands Zhang CJ, Li FF
9131 - 9141	Extended Polarization in Third-Order SCC-DFTB from Chemical-Potential Equalization Kaminski S, Giese TJ, Gaus M, York DM, Elstner M
9142 - 9157	NMR Landscapes for Chemical Shift Prediction Moore KW, Li R, Pelczer I, Rabitz H
9158 - 9180	Spectroscopy and Calculations for 4f(N) -> 4f(N-1)5d Transitions of Lanthanide Ions in K3YF6 Ma CG, Brik MG, Ryba-Romanowski W, Swart HC, Gusowski MA
9181 - 9188	Cyclic and Linear NiO2: A Multireference Configuration Interaction Study Hubner O, Himmel HJ
9189 - 9196	Quantum Mechanical Design and Structures of Hexanuclear Sandwich Complex and Its Multidecker Sandwich Clusters (Li-6)(n)([18] Annulene)(n+1) (n=1-3) Wang SJ, Li Y, Wu D, Wang YF, Li ZR
9197 - 9204	Iron-Centered Ten-Vertex Germanium Clusters: The Ubiquity of Low Energy Pentagonal Prismatic Structures with Various Skeletal Electron Counts Uta MM, Cioloboc D, King RB
9205 - 9213	Interplay of F-H center dot center dot center dot F Hydrogen Bonds and P center dot center dot center dot N Pnicogen Bonds Del Bene JE, Alkorta I, Sanchez-Sanz G, Elguero J
9214 - 9215	Comment on the Ionization Energy of B2F4 Chan B, Trevitt AJ, Blanksby SJ, Radom L
9216 - 9216	Performance of the Density Matrix Functional Theory in the Quantum Theory of Atoms in Molecules (vol, 116, pg 237, 2012) Garcia-Revilla M, Francisco E, Costales A, Pendas AM