| 4049 - 4057 |
Collisional Intermolecular Energy Transfer from a N-2 Bath at Room Temperature to a Vibrationlly "Cold" C6F6 Molecule Using Chemical Dynamics Simulations
Paul AK, Donzis D, Hase WL |
| 4058 - 4068 |
Temperature and Pressure Dependences of the Reactions of Fe+ with Methyl Halides CH3X (X = Cl, Br, I): Experiments and Kinetic Modeling Results
Ard SG, Shuman NS, Martinez O, Keyes NR, Viggiano AA, Guo H, Troe J |
| 4069 - 4075 |
H-2 Oxidation Mediated by Au-1-Doped Vanadium Oxide Cluster Cation AuV2O5+: A Comparative Study with AuCe2O4+
Zhang Y, Li ZY, Zhao YX, Li HF, Ding XL, Zhang HY, He SG |
| 4076 - 4092 |
Theoretical Study of the Pair-Correlated F + CHD3(v=0,nu(1)=1) Reaction: Effect of CH Stretching Vibrational Excitation
Espinosa-Garcia J, Bonnet L, Corchado JC |
| 4093 - 4102 |
Periodic Dispersion-Corrected Approach for Isolation Spectroscopy of N-2 in an Argon Environment: Clusters, Surfaces, and Matrices
Makina Y, Mahjoubi K, Benoit DM, Jaidane NE, Al-Mogren MM, Hochlaf M |
| 4103 - 4113 |
Exploring Systematic Discrepancies in DFT Calculations of Chlorine Nuclear Quadrupole Couplings
Socha O, Hodgkinson P, Widdifield CM, Yates JR, Dracinsky M |
| 4114 - 4122 |
Dissociative Recombination of Acetone Fragments, Adducts, and Dimer Ions
Al Shammari S, Almeida GC, Rocco MLM, Le Garrec JL, Mitchell JBA |
| 4123 - 4131 |
Reactions of Three Lactones with Cl, OD, and O-3: Atmospheric Impact and Trends in Furan Reactivity
Ausmeel S, Andersen C, Nielsen OJ, Osterstrom FF, Johnson MS, Nilsson EJK |
| 4132 - 4138 |
Structural Motifs of [Fe(CO2)(n)](-) Clusters (n=3-7)
Thompson MC, Dodson LG, Weber JM |
| 4139 - 4151 |
Performance of van der Waals Corrected Functionals for Guest Adsorption in the M-2(dobdc) Metal-Organic Frameworks
Vlaisavljevich B, Huck J, Hulvey Z, Lee K, Mason JA, Neaton JB, Long JR, Brown CM, Alfe D, Michaelides A, Smit B |
| 4152 - 4159 |
Ab Initio Study of Chemical Reactions of Cold SrF and CaF Molecules with Alkali-Metal and Alkaline-Earth-Metal Atoms: The Implications for Sympathetic Cooling
Kosicki MB, Kedziera D, Zuchowski PS |
| 4160 - 4170 |
Intermolecular Potentials of Methane Assessed by Second Virial Coefficients, ab Initio Dimer Interaction Energies, and Aggregate Cohesive Energies
Ribeiro DS |
| 4171 - 4179 |
Theoretical Study on the Open-Shell Singlet Nature and the Second Hyperpolarizabilities of Corannulene Derivatives with Two Phenoxyl Radicals
Minamida Y, Matsui H, Fukuda K, Nagami T, Fujiyoshi J, Yoneda K, Takamuku S, Kishi R, Kitagawa Y, Nakano M |
| 4180 - 4188 |
Effect of Fluorination on the Competition of Halogen Bonding and Hydrogen Bonding: Complexes of Fluoroiodomethane with Dimethyl Ether and Trimethylamine
Geboes Y, De Proft F, Herrebout WA |
| 4189 - 4201 |
Shedding Light on the Accuracy of Optimally Tuned Range-Separated Approximations for Evaluating Oxidation Potentials
Alipour M, Mohseni S |
