검색결과 : 10건
| No. | Article |
|---|---|
| 1 |
Bonding of cysteamine on InAs surfaces Knorr D, Tran N, Williams K, Andzelm J, Henry N, Gaskell K, Lenhart J, Baril N, Jaye C, Fischer D, Tidrow M, Bandara S Applied Surface Science, 462, 489, 2018 |
| 2 |
Nanotube-based gas sensors - Role of structural defects Andzelm J, Govind N, Maiti A Chemical Physics Letters, 421(1-3), 58, 2006 |
| 3 |
Zeolite-Catalyzed Hydrocarbon Formation from Methanol: Density Functional Simulations Govind N, Andzelm J, Reindel K, Fitzgerald G International Journal of Molecular Sciences, 3(4), 423, 2002 |
| 4 |
Geometry optimization of solids using delocalized internal coordinates Andzelm J, King-Smith RD, Fitzgerald G Chemical Physics Letters, 335(3-4), 321, 2001 |
| 5 |
Theoretical investigation of the initial reaction of the NO decomposition on the Si (100) (2x1) reconstructed surface Korkin AA, Demkov AA, Tanpipat N, Andzelm J Journal of Chemical Physics, 113(18), 8237, 2000 |
| 6 |
Combined quantum mechanics: Interatomic potential function investigation of rac-meso configurational stability and rotational transition in zirconocene-based Ziegler-Natta Maiti A, Sierka M, Andzelm J, Golab J, Sauer J Journal of Physical Chemistry A, 104(46), 10932, 2000 |
| 7 |
A density functional study of the receptor-ligand interaction: Stabilization energy in ammonium salt aromatic interactions Inoue Y, Sugio S, Andzelm J, Nakamura N Journal of Physical Chemistry A, 102(3), 646, 1998 |
| 8 |
Study of Some Organic-Reactions Using Density-Functional Theory Baker J, Muir M, Andzelm J Journal of Chemical Physics, 102(5), 2063, 1995 |
| 9 |
Incorporation of Solvent Effects into Density-Functional Calculations of Molecular-Energies and Geometries Andzelm J, Kolmel C, Klamt A Journal of Chemical Physics, 103(21), 9312, 1995 |
| 10 |
The Effect of Grid Quality and Weight Derivatives in Density-Functional Calculations Baker J, Andzelm J, Scheiner A, Delley B Journal of Chemical Physics, 101(10), 8894, 1994 |