| 1 |
Insights from abinitio molecular dynamics simulations for a multicomponent oxide glass
Ohkubo T, Tsuchida E, Deguchi K, Ohki S, Shimizu T, Otomo T, Iwadate Y
Journal of the American Ceramic Society, 101(3), 1122, 2018 |
| 2 |
Structure, reactivity, and growth pathways of metallocarbohedrenes M8C12 and transition metal/carbon clusters and nanocrystals: A challenge to computational chemistry
Rohmer MM, Benard M, Poblet JM
Chemical Reviews, 100(2), 495, 2000 |
| 3 |
A trigonal planar mu(3)-fluorido coinage metal complex from a dicationic (diphosphinomethane)copper(I) dimer: Syntheses, structures, and bonding
Straub BF, Rominger F, Hofmann P
Inorganic Chemistry, 39(10), 2113, 2000 |
| 4 |
Experimental electron density analysis of Mn-2(CO)(10): Metal-metal and metal-ligand bond characterization
Bianchi R, Gervasio G, Marabello D
Inorganic Chemistry, 39(11), 2360, 2000 |
| 5 |
Electric fields in ice and near water clusters
Batista ER, Xantheas SS, Jonsson H
Journal of Chemical Physics, 112(7), 3285, 2000 |
| 6 |
Closely approximating second-order Moller-Plesset perturbation theory with a local triatomics in molecules model
Lee MS, Maslen PE, Head-Gordon M
Journal of Chemical Physics, 112(8), 3592, 2000 |
| 7 |
Ab initio study of the hydroxide ion-water clusters: An accurate determination of the thermodynamic properties for the processes nH(2)O+OH--> HO-(H2O)(n) (n=1-4)
Pliego JR, Riveros JM
Journal of Chemical Physics, 112(9), 4045, 2000 |
| 8 |
Efficient real-space approach to time-dependent density functional theory for the dielectric response of nonmetallic crystals
Kootstra F, de Boeij PL, Snijders JG
Journal of Chemical Physics, 112(15), 6517, 2000 |
| 9 |
Photodissociation dynamics of propyne at 157 nm
Harich S, Lin JJ, Lee YT, Yang X
Journal of Chemical Physics, 112(15), 6656, 2000 |
| 10 |
Finding transition structures in extended systems: A strategy based on a combined quantum mechanics-empirical valence bond approach
Sierka M, Sauer J
Journal of Chemical Physics, 112(16), 6983, 2000 |
