Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.120, No.51 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (27 articles)

10057 - 10071	Attochemistry of Ionized Halogen, Chalcogen, Pnicogen, and Tetrel Noncovalent Bonded Clusters Chandra S, Bhattacharya A
10072 - 10087	Cost-Effective Implementation of Multiconformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions Moller KH, Otkjaer RV, Hyttinen N, Kurten T, Kjaergaard HG
10088 - 10095	Ultrafast Photodissociation Dynamics of Highly Excited Iodobenzene on the C Band Hu CL, Tang Y, Song XL, Liu ZM, Zhang B
10096 - 10107	Chemical Equilibria and Kinetics in Aqueous Solutions of Zymonic Acid Perkins RJ, Shoemaker RK, Carpenter BK, Vaida V
10108 - 10115	Computational Modeling of the Catalytic Cycle of Glutathione Peroxidase Nanomimic Kheirabadi R, Izadyar M
10116 - 10122	Origin of Substituent Effect on Tautomeric Behavior of 1,2,4-Triazole Derivatives: Combined Spectroscopic and Theoretical Study Sergeieva T, Bilichenko M, Holodnyak S, Monaykina YV, Okovytyy SI, Kovalenko SI, Voronkov E, Leszczynski J
10123 - 10133	Gas-Phase Photolysis of Pyruvic Acid: The Effect of Pressure on Reaction Rates and Products Reed Harris AE, Doussin JF, Carpenter BK, Vaida V
10134 - 10140	Structure and Electronic Transitions of C7H4O2+ and C7H5O2+ Ions: Neon Matrix and Theoretical Studies Fulara J, Erattupuzha S, Garkusha I, Maier JP
10141 - 10149	Water-Induced Organization of Palmitic Acid at the Surface of a Model Sea Salt Particle: A Molecular Dynamics Study Lovric J, Duflot D, Monnerville M, Toubin C, Briquez S
10150 - 10159	Highly Oxidized Second-Generation Products from the Gas-Phase Reaction of OH Radicals with Isoprene Berndt T, Herrmann H, Sipila M, Kulmala M
10160 - 10168	Uptake of Pyrene onto Fatty Acid Coated NaCl Aerosol Particles Woods E, Hull AW, Tigue ML
10169 - 10180	Role of Organic Hydrocarbons in Atmospheric Ice Formation via Contact Freezing Collier KN, Brooks SD
10181 - 10195	Ab Initio Thermodynamics and the Relationship between Octahedral Distortion, Lattice Structure, and Proton Substitution Defects in Malachite/Rosasite Group Endmember Pokrovskite Mg2CO3(OH)(2) Chaka AM
10196 - 10206	Unconventional O-H center dot center dot center dot C Hydrogen Bonding and Effects of Conformational Changes on Infrared Spectroscopy of o-Cresol in Solutions Yuan XG, Zheng D, Wang XZ, Liu PY, Ma J
10207 - 10215	Numerical Estimation of the Pseudo-Jahn-Teller Effect Using Nonadiabatic Coupling Integrals in Monocyclic and Bicyclic Conjugated Molecules Koseki S, Toyota A, Muramatsu T, Asada T, Matsunaga N
10216 - 10222	Strengthening of the Coordination Shell by Counter Ions in Aqueous Th4+ Solutions Atta-Fynn R, Bylaska EJ, de Jong WA
10223 - 10230	The Symmetric Exchange Reaction OH + H2O -> H2O + OH: Convergent Quantum Mechanical Predictions Gao AF, Li GL, Peng B, Xie YM, Schaefer HF
10231 - 10244	Massively Parallel Implementation of Explicitly Correlated Coupled-Cluster Singles and Doubles Using TiledArray Framework Peng C, Calvin JA, Pavosevic F, Zhang JM, Valeev EF
10245 - 10251	Color in Bridge-Substituted Cyanines Olsen S
10252 - 10263	Signatures of Size-Dependent Structural Patterns in Hydrated Copper(I) Clusters, Cu+(H2O)(n=1-10) Herr JD, Steele RP
10264 - 10272	Optimal Path Search for Recurrence Relation in Cartesian Gaussian Integrals Liu FL, Furlani T, Kong J
10273 - 10280	Electronic Polarization Effect of the Water Environment in Charge-Separated Donor-Acceptor Systems: An Effective Fragment Potential Model Study Yanai K, Ishimura K, Nakayama A, Schmidt MW, Gordon MS, Hasegawa J
10281 - 10288	Does Alkaline-Earth-Metal-Based Superalkali Exist? Liu JY, Xi YJ, Li Y, Li SY, Wu D, Li ZR
10289 - 10296	Hypervalency in Organic Crystals: A Case Study of the Oxicam Sulfonamide Group Tantardini C, Boldyreva EV, Benassi E
10297 - 10303	Understanding the Influence of the Electronic Structure on the Crystal Structure of a TTF-PTM Radical Dyad Vela S, Souto M, Ratera I, Rovira C, Veciana J
10304 - 10304	Theoretical Study on the Effects of Hydrogen-Bonding and Molecule-Cation Interactions on the Sensitivity of HMX (vol 120, pg 8444, 2016) Li YL, Ren FD, Wu JP, Cao DL, Wang JL
10305 - 10305	Computational Study of the Thermochemistry of N2O5 and the Kinetics of the Reaction N2O5 + H2O -> 2 HNO3 (vol 118, pg 11405, 2014) Alecu IM, Marshall P