183 - 190 |
Implementation of Lamarckian concepts in a Genetic Algorithm for structure solution from powder diffraction data Turner GW, Tedesco E, Harris KDM, Johnston RL, Kariuki BM |
191 - 196 |
Spin-orbit coupling in highly vibrationally excited O-2(upsilon) and O-2(upsilon=0)-O-2(upsilon) Hernandez-Lamoneda R, Ramirez-Solis A |
197 - 204 |
The time-dependent discrete variable representation method in molecular dynamics Billing GD, Adhikari S |
205 - 215 |
Symmetry principles for the design of radiofrequency pulse sequences in the nuclear magnetic resonance of rotating solids Carravetta M, Eden M, Zhao X, Brinkmann A, Levitt MH |
216 - 224 |
High-order coupled-cluster calculations through connected octuple excitations Hirata S, Bartlett RJ |
225 - 230 |
Ab initio analysis of proton transfer dynamics in (H2O)(3)H+ Geissler PL, Dellago C, Chandler D, Hutter J, Parrinello M |
231 - 237 |
Polarization-selective femtosecond Raman spectroscopy of isotropic and anisotropic vibrational dynamics in liquids Khalil M, Golonzka O, Demirdoven N, Fecko CJ, Tokmakoff A |
238 - 242 |
Kramers' escape problem with anomalous kinetics: non-exponential decay of the survival probability Metzler R, Klafter J |
243 - 252 |
Ionization energies and fine structure splittings of highly correlated systems: Zn, zinc-like ions and copper-like ions Vilkas MJ, Ishikawa Y, Hirao K |
253 - 261 |
Structures and electron detachment energies of AlP2- and Al2P2- Archibong EF, Gregorius RM, Alexander SA |
262 - 268 |
Monte Carlo simulations study for solvent effect on Cs+ to Rb+ ion mutation Kim HS |
269 - 274 |
On the origin of C-13 and N-14 hyperfine interactions in [Co(CN)(6)](4-) and [Rh(CN)(6)](4-) complexes in KC1 host lattice Leitao AA, Vugman NV, Bielschowsky CE |
275 - 280 |
A generalized discrete variable representation approach to interpolating or fitting potential energy surfaces Yu HG, Andersson S, Nyman G |
281 - 286 |
Potential energy curves for the ground and low-lying excited states of IBr calculated with relativistic effective core potentials and spin-orbit interactions Pittner J, Jungwirth P |
287 - 291 |
Molecular dynamics in crystalline C-60 center dot 2CHBr(3) Collins C, Duer M, Klinowski J |
292 - 296 |
Enhancement of adsorption inside of single-walled nanotubes: opening the entry ports Kuznetsova A, Mawhinney DB, Naumenko V, Yates JT, Liu J, Smalley RE |
297 - 301 |
Purification of single-wall carbon nanotubes by using ultrafine gold particles Mizoguti E, Nihey F, Yudasaka M, Iijima S, Ichihashi T, Nakamura K |
302 - 308 |
Periodic Hartree-Fock study of the adsorption of formic acid on ZnO(10(1)over-bar-0) Persson P, Ojamae L |
309 - 314 |
Noise-induced oscillations and internal stochastic resonance in a model of excitable biomembrane Zhong S, Xin HW |
315 - 320 |
Effect of the cut-off radius of the intermolecular potential on phase equilibrium and surface tension in Lennard-Jones systems Baidakov VG, Chernykh GG, Protsenko SP |
321 - 327 |
Size dependence in adsorption on model surfaces Erkoc S, Bastug T, Hirata M, Tachimori S |
328 - 332 |
Reaction of PH2((X)over-tilde B-2(i); upsilon('')(2)=0,1) with NO Xuan CN, Margani A |
333 - 337 |
Electronic properties of dipole-bound (H2O)(2)(-), (D2O)(2)(-), (H2O)(2)(-) Ar(n=1,2,3), and (D2O)(2)(-) Ar(n=1,2,3) using negative ion photoelectron spectroscopy Lee GH, Arnold ST, Eaton JG, Bowen KH |