| 3001 - 3018 |
Pressure-Dependent Rate Rules for Intramolecular H-Migration Reactions of Hydroperoxyalkylperoxy Radicals in Low Temperature
Yao Q, Sun XH, Li ZR, Chen FF, Li XY |
| 3019 - 3027 |
Hydrogen Transfer in Energetic Materials from ReaxFF and DFT Calculations
Sergeev OV, Yanilkin AV |
| 3028 - 3036 |
Kinetics of Thermal Unimolecular Decomposition of Acetic Anhydride: An Integrated Deterministic and Stochastic Model
Mai TVT, Duong MV, Nguyen HT, Lin KC, Huynh LK |
| 3037 - 3044 |
Intense-Field Multiple-Detachment of F-2(-): Competition with Photodissociation
Shahi A, Albeck Y, Strasser D |
| 3045 - 3055 |
Bond Polarizability Model for Sum Frequency Generation at the AI(2)O(3)(0001)-H2O Interface
DelloStritto M, Sofo J |
| 3056 - 3070 |
Reinvestigation of the Infrared Spectrum of the Gas-Phase Protonated Water Tetramer
Wang H, Agmon N |
| 3071 - 3078 |
Improved Quantum Chemical NMR Chemical Shift Prediction of Metabolites in Aqueous Solution toward the Validation of Unknowns
Hoffmann F, Li DW, Sebastiani D, Bruschweiler R |
| 3079 - 3087 |
New Phenol Benzoate Cyanine Picolinium Salt Photoacid Excited-State Proton Transfer
Green O, Gajst O, Simkovitch R, Shabat D, Huppert D |
| 3088 - 3093 |
Compressively Sampled Two-Dimensional Infrared Spectroscopy That Preserves Line Shape Information
Humston JJ, Bhattacharya I, Jacob M, Cheatum CM |
| 3094 - 3100 |
Modeling Closed Equilibrium Systems of H2O-Dissolved CO2-Solid CaCO3
Tenno T, Uiga K, Mashirin A, Zekker I, Rikmann E |
| 3101 - 3108 |
Ammonia Catalyzed Formation of Sulfuric Acid in Troposphere: The Curious Case of a Base Promoting Acid Rain
Bandyopadhyay B, Kumar P, Biswas P |
| 3109 - 3116 |
Physical Chemistry of the Freezing Process of Atmospheric Aqueous Drops
Bogdan A, Molina MJ |
| 3117 - 3127 |
Which Density Functional Should Be Used to Describe Protonated Water Clusters?
Shi RL, Huang XM, Su Y, Si HG, Lo SD, Tang LL, Zhao JJ |
| 3128 - 3135 |
Properties of the Only Thorium Fullerene, Th@C-84, Uncovered
Kaminsky J, Vicha J, Bour P, Straka M |
| 3136 - 3141 |
Acetaldehyde-Ammonia Interaction: A DFT Study of Reaction Mechanism and Product Identification
Tuguldurova VP, Fateev AV, Malkov VS, Poleshchuk OK, Vodyankina OV |
| 3142 - 3147 |
Orbitals, Occupation Numbers, and Band Structure of Short One-Dimensional Cadmium Telluride Polymers
Valentine AJS, Talapin DV, Mazziotti DA |
| 3148 - 3154 |
Benchmark Study of the Structural and Thermochemical Properties of a Dihydroazulene/Vinylheptafulvene Photoswitch
Koerstz M, Elm J, Mikkelsen KV |
| 3155 - 3166 |
Fourier Transform Microwave Spectrum of Propene-3-d(1) (CH2=CHCH2D), Quadrupole Coupling Constants of Deuterium, and a Semiexperimental Equilibrium Structure of Propene
Demaison J, Craig NC, Gurusinghe R, Tubergen MJ, Rudolph HD, Coudert LH, Szalay PG, Csaszar AG |
| 3167 - 3173 |
Theoretical Investigation of Anion-Radical States of Edge-Oxidized Carbon Model Clusters
Khayryuchenko OV, Frank B |
