Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.120, No.21 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (29 articles)

3755 - 3766	How to Compute Electron Ionization Mass Spectra from First Principles Bauer CA, Grimme S
3767 - 3779	Kinetics and Mechanism of Oxidation of Methimazole by Chlorite in Slightly Acidic Media Chipiso K, Simoyi RH
3780 - 3787	Atomic Resolution for the Energy Derivatives on the Reaction Path Jedrzejewski M, Ordon P, Komorowski L
3788 - 3796	Compositions and Structures of Vanadium Oxide Cluster Ions VmOn +/-(m=2-20) Investigated by Ion Mobility Mass Spectrometry Wu JWJ, Moriyama R, Tahara H, Ohshimo K, Misaizu F
3797 - 3809	Twisted Intramolecular Charge Transfer in Protonated Amino Pyridine Broquier M, Soorkia S, Dedonder-Lardeux C, Jouvet C, Theule P, Gregoire G
3810 - 3816	IRMPD Spectroscopy: Evidence of Hydrogen Bonding in the Gas Phase Conformations of Lasso Peptides and their Branched-Cyclic Topoisomers Fouque KJD, Lavanant H, Zirah S, Steinmetz V, Rebuffat S, Maitre P, Afonso C
3817 - 3826	Aqueous Photochemistry of Glyoxylic Acid Eugene AJ, Xia SS, Guzman MI
3827 - 3834	Solubilities and Glass Formation in Aqueous Solutions of the Sodium Salts of Malonic Acid With and Without Ammonium Sulfate Kissinger JA, Buttke LG, Vinokur AI, Guzei IA, Beyer KD
3835 - 3841	Effect of Side Chains on Molecular Conformation of Anthracene-Ethynylene-Phenylene-Vinylene Oligomers: A Comparative Density Functional Study With and Without Dispersion Interaction Dong CD, Hoppe H, Beenken WJD
3842 - 3842	Experimental Study of the Mesospheric Removal of NF3 by Neutral Meteoric Metals and Lyman-alpha Radiation (vol 118, pg 4120, 2014) Totterdill A, Martin JCG, Kovacs T, Feng WH, Plane JMC
4089 - 4095	Nitrogen Molecule Adsorption on Cationic Tantalum Clusters and Rhodium Clusters and Desorption from Their Nitride Clusters Studied by Thermal Desorption Spectrometry Mafune F, Tawaraya Y, Kudoh S
4096 - 4107	Is H Atom Abstraction Important in the Reaction of CI with 1-Alkenes? Walavalkar MP, Vijayakumar S, Sharma A, Rajakumar B, Dhanya S
4108 - 4115	Intermolecular Interactions of a Chiral Amine Borane Adduct Revealed by VCD Spectroscopy Osowski T, Golbek J, Merz K, Merten C
4116 - 4123	Synthesis and Photophysical Properties of Novel Donor-Acceptor N-(Pyridin-2-yl)-Substituted Benzo(thio)amides and Their Difluoroboranyl Derivatives Jedrzejewska B, Zakrzewska A, Mloston G, Budzak S, Mroczynska K, Grabarz AM, Kaczorowska MA, Jacquemin D, Osmialowski B
4124 - 4130	Electronic Structure and Dynamics of Higher-Lying Excited States in Light Harvesting Complex 1 from Rhodobacter sphaeroides Dahlberg PD, Ting PC, Massey SC, Martin EC, Hunter CN, Engel GS
4131 - 4138	OFF-ON-OFF Dual Emission at Visible and UV Wavelengths from Carbazole Functionalized beta-Diketonate Europium(III) Complex Imai Y, Kawai T, Yuasa J
4139 - 4146	Photochemistry of Nitrophenol Molecules and Clusters: Intra- vs Intermolecular Hydrogen Bond Dynamics Grygoryeya K, Kubecka J, Pysanenko A, Lengyel J, Slayicek P, Farnik M
4147 - 4154	Isotherm-Based Thermodynamic Models for Solute Activities of Organic Acids with Consideration of Partial Dissociation Nandy L, Ohm PB, Dutcher CS
4155 - 4166	Optical and Physicochemical Properties of Brown Carbon Aerosol: Light Scattering, FTIR Extinction Spectroscopy, and Hygroscopic Growth Tang M, Alexander JM, Kwon D, Estillore AD, Laskina O, Young MA, Kleiber PD, Grassian VH
4167 - 4178	New Insights into Mechanism of Molybdenum(VI)-Dioxo Complex Catalyzed Hydrosilylation of Carbonyls: An Alternative Model for Activating Si-H Bond Ning XS, Wang JD, Wei HY
4179 - 4190	Multiple Noncovalent Bonding in Halogen Complexes with Oxygen Organics. I. Tertiary Amides Suponitsky KY, Burakov NI, Kanibolotsky AL, Mikhailov VA
4191 - 4200	Structure and Stability Studies of Pharmacologically Relevant S-Nitrosothiols: A Theoretical Approach Meyer B, Genoni A, Boudier A, Leroy P, Ruiz-Lopez MF
4201 - 4210	Complexation Behavior of the Tri-n-butyl Phosphate Ligand with Pu(IV) and Zr(IV): A Computational Study Gopakumar G, Sreenivasulu B, Suresh A, Rao CVSB, Sivaraman N, Joseph M, Anoop A
4211 - 4222	Conciliatory Inductive Model Explaining the Origin of Changes in the eta(2)-SiH Bond Length Caused by Presence of Strongly Electronegative Atoms X (X = F, CI) in Cp(OC)(2)Mn[eta(2)-H(SiH3-nXn)] (n=0-3) Complexes Jablonski M
4223 - 4230	Nature of Hydrogen Bonds and S center dot center dot center dot S Interactions in the L-Cystine Crystal Flores-Huerta AG, Tkatchenko A, Galvan M
4231 - 4240	Ethanol and Water Adsorption on Transition-Metal 13-Atom Clusters: A Density Functional Theory Investigation within van der Waals Corrections Zibordi-Besse L, Tereshchuk P, Chaves AS, Da Silva JLF
4241 - 4248	Combined Experimental and Theoretical Investigations on Optical Activities of Mobius Aromatic and Mobius Antiaromatic Hexaphyrin Phosphorus Complexes Mori T, Tanaka T, Higashino T, Yoshida K, Osuka A
4249 - 4255	Ti(N-5)(4) as a Potential Nitrogen-Rich Stable High-Energy. Density Material Choi C, Yoo HW, Goh EM, Cho SG, Jung Y
4256 - 4266	Energetic, Structural, and Vibrational Properties of 4,4'-Methylenediphenyl Diisocyanate with Relevance for Adhesion Ramirez M, Vargas J, Springborg M