Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.114, No.26 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (44 articles)

6917 - 6926	Theoretical Investigation on the Stability of Negatively Charged Formic Acid Clusters Baptista L, Andrade DPP, Rocha AB, Rocco MLM, Boechat-Roberty HM, da Silveira EF
6927 - 6934	Emission Red Shift and Unusual Band Narrowing of Mn2+ in NaCaPO4 Phosphor Shi LA, Huang YL, Seo HJ
6935 - 6943	Electronic Structure and Spectroscopy of Oxyallyl: A Theoretical Study Mozhayskiy V, Goebbert DJ, Velarde L, Sanov A, Krylov AI
6944 - 6955	O-H center dot center dot center dot O versus O-H center dot center dot center dot S Hydrogen Bonding. 2. Alcohols and Thiols as Hydrogen Bond Acceptors Biswal HS, Shirhatti PR, Wategaonkar S
6956 - 6963	Alignment and Relaxation Dynamics of Dye Molecules in Host-Guest Inclusion Compounds As Probed by Dielectric Spectroscopy Tsuwi J, Berger R, Labat G, Couderc G, Behrnd NR, Ottiger P, Cucinotta F, Schurmann K, Bertoni M, Viani L, Gierschner J, Cornil J, Prodi-Schwab A, De Cola L, Wubbenhorst M, Hulliger J
6964 - 6971	Bond Dissociation Energies of Solvated Silver(I)-Amide Complexes: Competitive Threshold Collision-Induced Dissociations and Calculations Romanov V, Siu CK, Verkerk UH, Hopkinson AC, Siu KWM
6972 - 6977	Electronic Structure and Optical Properties of Dianionic and Dicationic pi-Dimers Li YZ, Li HX, Zhao XM, Chen MD
6978 - 6982	Low Entropic Barrier to the Hydrophobic Collapse of the Prion Protein: Effects of Intermediate States and Conformational Flexibility Bergasa-Caceres F, Rabitz HA
6983 - 6995	Near-Infrared Kinetic Spectroscopy of the HO2 and C2H5O2 Self-Reactions and Cross Reactions Noell AC, Alconcel LS, Robichaud DJ, Okumura M, Sander SP
6996 - 7002	Unimolecular Rate Constant and Threshold Energy for the HF Elimination from Chemically Activated CF3CHFCF3 Duncan JR, Roach MS, Stiles BS, Holmes BE
7003 - 7013	Optimizing Simultaneous Two-Photon Absorption and Transient Triplet-Triplet Absorption in Platinum Acetylide Chromophores Kim KY, Shelton AH, Drobizhev M, Makarov N, Rebane A, Schanze KS
7014 - 7020	Temperature-Induced Bifurcations in the Cu(II)-Catalyzed and Catalyst-Free Hydrogen Peroxide-Thiosulfate Oscillating Reaction Yuan L, Gao QY, Zhao YM, Tang XD, Epstein IR
7021 - 7025	Probing the Lifetimes of Internally Excited Amyl Nitrite Cations Rosenberg M, Minitti MP, Rusteika N, Bisgaard CZ, Deb S, Weber PM, Solling TI
7026 - 7029	Oscillatory System I-, H2O2, HClO4: The Modified Form of the Bray-Liebhafsky Reaction Olexova A, Mrakavova M, Melichercik M, Treindl L
7030 - 7037	Solutions of the Coupled Reaction and Diffusion Equations within Polymer-Modified Ultramicroelectrodes Shanmugarajan A, Alwarappan S, Lakshmanan R, Kumar A
7038 - 7047	Raman Spectroscopy of High-Pressure-High-Temperature Polymorph of Hexahydro-1,3,5-trinitro-1,3,5-triazine (epsilon-RDX) Dreger ZA, Gupta YM
7048 - 7054	Emergence of Symmetry and Chirality in Crown Ether Complexes with Alkali Metal Cations Martinez-Haya B, Hurtado P, Hortal AR, Hamad S, Steill JD, Oomens J
7055 - 7062	Synthesis and Photophysics of Platinum(II) 6-Phenyl-4-(9,9-dihexylfluoren-2-yl)-2,2'-bipyridine Complexes with Phenothiazinyl Acetylide Ligand Yi J, Zhang BG, Shao P, Li YJ, Sun WF
7063 - 7069	Spatiotemporal Dynamics of Mixed Landolt Systems in Open Gel Reactors: Effect of Diffusive Feed Takacs N, Horvath J, Szalai I
7070 - 7076	Cooling Enhancement of Aerosol Particles Due to Surfactant Precipitation Beaver MR, Freedman MA, Hasenkopf CA, Tolbert MA
7077 - 7084	Influence of Uncertainties in the Diameter and Refractive Index of Calibration Polystyrene Beads on the Retrieval of Aerosol Optical Properties Using Cavity Ring Down Spectroscopy Miles REH, Rudic S, Orr-Ewing AJ, Reid JP
7085 - 7093	Uptake of Ozone to Deliquesced KI and Mixed KI/NaCl Aerosol Particles Rouviere A, Sosedova Y, Ammann M
7094 - 7101	A TDDFT Study of the Fluorescence Properties of Three Alkoxypyridylindolizine Derivatives Aittala PJ, Cramariuc O, Hukka TI, Vasilescu M, Bandula R, Lemmetyinen H
7102 - 7109	Unusual Isomers of Disilacyclopropenylidene (Si2CH2) Wu QY, Hao QA, Yamaguchi Y, Li QS, Fang DC, Schaefer HF
7110 - 7116	Comparative Theoretical Studies of the Phosphomonoester Hydrolysis Mechanism by Purple Acid Phosphatases Retegan M, Milet A, Jamet H
7117 - 7120	Er3+ Electronic Energy Levels in GaN Yang Y, Pitzer RM
7121 - 7126	Assignment of UV-vis Spectrum of (3,3')-Diindolylmethane, a Leishmania donovani Topoisomerase IB Inhibitor and a Candidate DNA Minor Groove Binder Coletta A, della Rocca BM, Jaisankar P, Majumder HK, Chillemi G, Sanna N, Desideri A
7127 - 7138	Effect of Waters of Crystallization on Terahertz Spectra: Anhydrous Oxalic Acid and Its Dihydrate King MD, Korter TM
7139 - 7145	One-Electron Pseudopotential Investigation of CsAr van der Waals System Including the Spin-Orbit Interaction Dhiflaoui J, Berriche H
7146 - 7152	Calibration of the Isomer Shift for Iodine Resonant Transitions by Ab Initio Calculations Wdowik UD, Legut D, Ruebenbauer K
7153 - 7161	Aromatic Pathways in Twisted Hexaphyrins Fliegl H, Sundholm D, Taubert S, Pichierri F
7162 - 7172	NMR Spectroscopic Parameters of Molecular Systems with Strong Hydrogen Bonds Zarycz N, Aucar GA, Della Vedova CO
7173 - 7178	CASSCF/CASPT2 Calculation of the Low-Lying Electronic States of the CH3Se Neutral Radical and Its Cation Song MX, Zhao ZX, Bai FQ, Liu YJ, Zhang HX, Sun CC
7179 - 7186	Shielding Constants and Chemical Shifts in DFT: Influence of Optimized Effective Potential and Coulomb-Attenuation Peach MJG, Kattirtzi JA, Teale AM, Tozer DJ
7187 - 7190	The Molecular Structure of Hexamethyldigermane Determined by Gas-Phase Electron Diffraction with Theoretical Calculations for (CH3)(3)M-M(CH3)(3) Where M = C, Si, and Ge Aarset K, Page EM, Rice DA
7191 - 7197	Spin-State-Corrected Gaussian-Type Orbital Basis Sets Swart M, Guell M, Luis JM, Sola M
7198 - 7212	Analysis of Vibrational Raman Optical Activity Signatures of the (TG)(N) and (GG)(N) Conformations of Isotactic Polypropylene Chains in Terms of Localized Modes Liegeois V, Jacob CR, Champagne B, Reiher M
7213 - 7222	Tuning sigma-Holes: Charge Redistribution in the Heavy (Group 14) Analogues of Simple and Mixed Halomethanes Can Impose Strong Propensities for Halogen Bonding Donald KJ, Wittmaack BK, Crigger C
7223 - 7229	Bond Paths Show Preferable Interactions: Ab Initio and QTAIM Studies on the X-H center dot center dot center dot pi Hydrogen Bond Grabowski SJ, Ugalde JM
7230 - 7240	Watching the Conformational Changes of Maleonitriledithiolate Chromophores Inside the Inclusion Complexes with Cyclodextrins: Probed by ICD Spectra and DFT Calculations Cheng XA, Wang Q, Lu CS, Meng QJ
7241 - 7247	Structure and Electronic Properties of Alkali-C-60 Nanoclusters Rabilloud F
7248 - 7256	Excited States of SnSi: A Configuration Interaction Study Chakrabarti S, Das KK
7257 - 7260	On the Difference of the Properties between the Blue-Shifting Halogen Bond and the Blue-Shifting Hydrogen Bond Wang WZ, Zhang Y, Ji BM
7261 - 7265	Differential Solvation Free Energies of Oxonium and Ammonium Ions: Insights from Quantum Chemical Calculations Saielli G