Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.124, No.49 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (26 articles)

10091 - 10099	Wave Function Based Analysis of Dynamics versus Yield of Free Triplets in Intramolecular Singlet Fission Chesler R, Khan S, Mazumdar S
10100 - 10110	Controlling Mobius-Type Helicity and the Excited-State Properties of Cumulenes with Carbenes Pinter P, Munz D
10111 - 10120	Stochastically Realized Observables for Excitonic Molecular Aggregates Bradbury NC, Chuang C, Deshmukh AP, Rabani E, Baer R, Caram JR, Neuhauser D
10121 - 10131	Pressure and Temperature Dependencies of Rate Coefficients for the Reaction OH + NO2 + M -> Products Winiberg FAF, Zuraski K, Liu YD, Sander SP, Percival CJ
10132 - 10142	Neural Network Based Quasi-diabatic Representation for S-0 and S-1 States of Formaldehyde Guan YF, Xie CJ, Guo H, Yarkony DR
10143 - 10151	Size Dependence of Non-Radiative Decay Rates in J-Aggregates Humeniuk A, Mitric R, Bonacic-Koutecky V
10152 - 10161	Investigation of O-2-X (X = Pyrrole or Pyridine) Cluster Photodissociation Near 226 nm Parsons BF, Szpunar DE
10162 - 10170	Mode- and Bond-Selected Reaction of H with Local Mode Molecule HDS Xin R, Pan MY, Song HW, Yang MH
10171 - 10180	Molecular Recognition and Hydration Energy Mismatch Combine To Inform Ion Binding Selectivity at Aqueous Interfaces Neal JF, Saha A, Zerkle MM, Zhao W, Rogers MM, Flood AH, Allen HC
10181 - 10198	Gas-Phase Binding Energies and Dissociation Dynamics of 1-Alkyl-3-Methylimidazolium Tetrafluoroborate Ionic Liquid Clusters Roy HA, Hamlow LA, Rodgers MT
10199 - 10215	Absolute Trends and Accurate and Precise Gas-Phase Binding Energies of 1-Alkyl-3-Methylimidazolium Tetrafluoroborate Ionic Liquid Clusters from Combined Independent and Competitive TCID Measurements Roy HA, Rodgers MT
10216 - 10224	Structure of C60F36: A Gas-Phase Electron Diffraction and Quantum Chemical Computational Study of a Remarkably Distorted Fluorofullerene Belyakov AV, Kulishenko RY, Johnson RD, Shishkov IF, Rykov AN, Markov VY, Khinevich VE, Goryunkov AA
10225 - 10238	Ion Pairing versus Solvation of Dinitrobenzene Anions in Room-Temperature Ionic Liquids (RTILs): Vibrational Signatures of RTIL- Substrate Interactions Atifi A, Mak PJ, Ryan MD
10239 - 10245	On the Borate-Catalyzed Electrochemical Reduction of Phosphine Oxide: A Computational Study von Zander RE, Saalfrank P
10246 - 10257	Determinant Factor for Thermodynamic Stability of Sulfuric Acid-Amine Complexes Han J, Wang L, Zhang HH, Su QY, Zhou XG, Liu SL
10258 - 10265	Temperature-Dependent Electron Momentum Spectroscopy on the Molecular Orbitals of Dimethyl Ether Watanabe N, Takahashi K, Sato K, Takahashi M
10266 - 10276	IRMPD Spectroscopic and Theoretical Structural Investigations of Zinc and Cadmium Dications Bound to Histidine Dimers Stevenson BC, Martens J, Berden G, Oomens J, Schafer M, Armentrout PB
10277 - 10287	Vibrationally Induced Conformational Isomerization and Tunneling in Pyrrole-2-Carboxylic Acid Roque JPL, Sharma A, Rosado MTS, Fausto R, Reva I
10288 - 10295	Temperature Dependence of Aqueous-Phase Decomposition of alpha-Hydroxyalkyl-Hydroperoxides Hu MX, Chen KP, Qiu JT, Lin YH, Tonokura K, Enami S
10296 - 10311	Three-Body Dispersion Corrections to the Spherical Atom Model: The PFD-3B Density Functional Petersson GA, Frisch MJ, Dobek F, Zulueta B
10312 - 10323	Dispersion-Corrected DFT Methods for Applications in Nuclear Magnetic Resonance Crystallography Holmes ST, Vojvodin CS, Schurko RW
10324 - 10329	Density Functional Theory Investigation of Fulvene-Derivatized Fullerenes as Candidates for Organic Solar Cells Fuhrer TJ, Snelgrove J, Corley CA, Iacono ST
10330 - 10345	Machine Learned Model for Solid Form Volume Estimation Based on Packing-Accessible Surface and Molecular Topological Fragments Bier I, Marom N
10346 - 10358	Partition Analysis for Density-Functional Tight-Binding Fedorov DG
10359 - 10383	Combinatorics of Supergiant Fullerenes: Enumeration of Polysubstituted Isomers, Chirality, Nuclear Magnetic Resonance, Electron Spin Resonance Patterns, and Vibrational Modes from C-70 to C-150000 Balasubramanian K
10384 - 10392	Effect of Perturbative Vibronic Correction for Weak Fluorescence in Thermally Activated Delayed Fluorescence Systems Park SW, Yang JH, Choi H, Rhee YM, Kim D