1341 |
|
Ab Initio Modeling of Small, Medium, and Large Loops in Proteins/
|
Galaktionov, S
|
John Wiley & Sons, etc.]
|
2001
|
|
|
1342 |
|
Ab initio modeling of surface structure for SrTiO3 perovskite crystals (5 pages)/
|
Heifets, E
|
Published for the American Physical Society by the American Institute of Physics
|
2001
|
|
|
1343 |
|
Ab initio model study on a water molecule between graphite layers/
|
Ruuska, H
|
Pergamon Press
|
2003
|
|
|
1344 |
|
Ab initio molecular dynamics around a conical intersection: Li(2p) + H~2
|
Martinez, T. J.
|
North Holland
|
1997
|
|
|
1345 |
|
Ab initio molecular dynamics for liquid metals
|
Kresse, G
|
North-Holland
|
1980
|
|
|
1346 |
|
Ab initio molecular dynamics of ion solvation. The case of Be^2^+ in water
|
Sprik, M. Marx, D. Parrinello, M.
|
North Holland
|
1997
|
|
|
1347 |
|
Ab initio molecular dynamics of pseudorotating Li~5
|
Carter, E. A. Gibson, D. A.
|
North Holland
|
1997
|
|
|
1348 |
|
Ab initio molecular dynamics of retinals
|
De Groot, H. J. M. Bifone, A. Buda, F.
|
North Holland
|
1996
|
|
|
1349 |
|
Ab initio Molecular Dynamics Simulation of Laser Melting of Silicon
|
Silvestrelli, P. L
|
American Physical Society
|
1980
|
|
|
1350 |
|
Ab initio molecular-dynamics simulation of liquid GaxAs1-x alloys/
|
Kulkarni, R V
|
Published for the American Physical Society by the American Institute of Physics
|
2000
|
|
|
1351 |
|
Ab initio molecular dynamics simulation of liquid hydrogen fluoride
|
Roethlisberger, U
|
American Institute of Physics
|
1980
|
|
|
1352 |
|
Ab initio molecular dynamics simulation of liquid water: Comparison of three gradient-corrected density functionals
|
Sprik, M
|
American Institute of Physics
|
1980
|
|
|
1353 |
|
Ab initio molecular dynamics simulation of methanol adsorbed in chabazite
|
Sauer, J. Hutter, J. Haase, F.
|
North Holland
|
1997
|
|
|
1354 |
|
Ab Initio Molecular Dynamics Simulations for Collision between C~6~0^- and Alkali-Metal Ions: A Possibility of Li@ C~6~0
|
Ohno, K
|
American Physical Society
|
1980
|
|
|
1355 |
|
Ab initio molecular dynamics simulations with a HOMO-LUMO gap biasing potential to accelerate rare reaction events/
|
Mosey, N. J
|
North Holland
|
2003
|
|
|
1356 |
|
Ab initio molecular dynamics studies on volume stability of Voronoi polyhedra under pressures in a metal glass
|
Aoki, M. I
|
American Institute of Physics
|
1980
|
|
|
1357 |
|
Ab initio molecular dynamics study of polyfluoride anions
|
Von Rosenvinge, T
|
American Institute of Physics
|
1980
|
|
|
1358 |
|
Ab initio molecular dynamics study of solid- to liquidlike transitions in Li^+~9, Li~1~0, and Li^+~1~1 clusters
|
Bonacic-Koutecky, V
|
American Institute of Physics
|
1980
|
|
|
1359 |
|
Ab Initio Molecular Dynamics Study of the Desorption of D~2 from Si(100)
|
Gross, A
|
American Physical Society
|
1980
|
|
|
1360 |
|
Ab initio molecular dynamics study of the pressure-induced phase transformations in cristobalite (5 pages)/
|
Klug, D D
|
|
2001
|
|
|