| 941 |
|
Ab initio calculations on the inclusion complexation of cyclobis(paraquat-p-phenylene)/
|
Zhang, Ke-Chun
|
North Holland
|
2001
|
|
|
|
| 942 |
|
Ab initio calculations on the reaction mechanism for the radical reaction CH3+ClO/
|
Zhou
|
Royal Society of Chemistry
|
2001
|
|
|
|
| 943 |
|
Ab initio CCSD(T) and MRD-CI study of excited states and the electronic spectrum of linear C5+/
|
Schnell, Melanie
|
North Holland
|
2001
|
|
|
|
| 944 |
|
Ab initio computation of molecular singlet-triplet energy differences using auxiliary field Monte Carlo/
|
Baer, Roi
|
North Holland
|
2001
|
|
|
|
| 945 |
|
Ab initio density-functional supercell calculations of hydrogen defects in cubic SiC (19 pages)/
|
Aradi, B
|
|
2001
|
|
|
|
| 946 |
|
Ab initio electron affinities of AlH, SiH, GaH, and GeH, including characterization of bound excited states of SiH- and GeH-/
|
Woon, D E
|
North Holland
|
2001
|
|
|
|
| 947 |
|
Ab initio electronic structure studies of Na2OH and its anion
|
Choi, Cheol Ho
|
North Holland
|
2001
|
|
|
|
| 948 |
|
Ab initio g-tensor calculations of hydrogen bond effects on a nitroxide spin label/
|
Engstr�m, Maria
|
North Holland
|
2001
|
|
|
|
| 949 |
|
Ab initio G W quasiparticle energies of small sodium clusters by an all-electron mixed-basis approach (6 pages)/
|
Ishii, Soh
|
|
2001
|
|
|
|
| 950 |
|
Ab initio investigation of elastic constants of superconducting MgB2/
|
Islam, A K M A
|
North-Holland
|
2001
|
|
|
|
| 951 |
|
Ab initio investigation of point defects in bulk Si and Ge using a cluster method (11 pages)/
|
�g�t, Serdar
|
Published for the American Physical Society by the American Institute of Physics
|
2001
|
|
|
|
| 952 |
|
Ab initio investigations on neutral clusters of ammonia: (NH3)n (n=2-6)
|
Kulkarni, Sudhir A
|
|
2001
|
|
|
|
| 953 |
|
Ab initio local-spin-density study of the structural and magnetic properties of La1-xCaxMnO3 systems/
|
Lorenz, R
|
North-Holland Pub. Co
|
2001
|
|
|
|
| 954 |
|
Ab initio MO calculations of hyperfine coupling constants of hydronium radical H3O/
|
Tachikawa, Hiroto
|
North Holland
|
2001
|
|
|
|
| 955 |
|
Ab initio modeling of quantum transport properties of molecular electronic devices (13 pages)/
|
Taylor, Jeremy
|
|
2001
|
|
|
|
| 956 |
|
Ab Initio Modeling of Small, Medium, and Large Loops in Proteins/
|
Galaktionov, S
|
John Wiley & Sons, etc.]
|
2001
|
|
|
|
| 957 |
|
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
|
|
|
|
| 958 |
|
Ab initio molecular dynamics study of the pressure-induced phase transformations in cristobalite (5 pages)/
|
Klug, D D
|
|
2001
|
|
|
|
| 959 |
|
Ab initio molecular orbital study of OH-(H2O)n and SH-(H2O)n in the gas phase
|
Masamura, M
|
|
2001
|
|
|
|
| 960 |
|
Ab initio MRD-CI study of excited states of chloromethanol ClCH2OH and photofragmentation along C-O and C-Cl cleavage/
|
Schnell, Melanie
|
North Holland
|
2001
|
|
|
|