화학공학소재연구정보센터

Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.121, No.21 Entire volume, number list
ISSN: 1089-5639 (Print) 

In this Issue (15 articles)

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