검색결과 : 57건
| No. | Article |
|---|---|
| 1 |
Vibrational levels of methanol calculated by the reaction path version of MULTIMODE, using an ab initio, full-dimensional potential Bowman JM, Huang XC, Handy NC, Carter S Journal of Physical Chemistry A, 111(31), 7317, 2007 |
| 2 |
Rovibrational energy levels for the electronic ground state of A1OH Handy NC, Carter S, Yamaguchi Y, Li S, Turney JM, Schaefer HF Chemical Physics Letters, 427(1-3), 14, 2006 |
| 3 |
Hartree-Fock orbitals which obey the nuclear cusp condition Galek PTA, Handy NC, Cohen AJ, Chan GKL Chemical Physics Letters, 404(1-3), 156, 2005 |
| 4 |
The nodes of Hartree-Fock wavefunctions and their orbitals Hachmann J, Galek PTA, Yanai T, Chan GKL, Handy NC Chemical Physics Letters, 392(1-3), 55, 2004 |
| 5 |
A new hybrid exchange-correlation functional using the Coulomb-attenuating method (CAM-B3LYP) Yanai T, Tew DP, Handy NC Chemical Physics Letters, 393(1-3), 51, 2004 |
| 6 |
Density-functional generalized-gradient and hybrid calculations of electromagnetic properties using Slater basis sets Watson MA, Handy NC, Cohen AJ, Helgaker T Journal of Chemical Physics, 120(16), 7252, 2004 |
| 7 |
Anharmonic frequencies and Berry pseudorotation motion in PF5 Caligiana A, Aquilanti V, Burcl R, Handy NC, Tew DP Chemical Physics Letters, 369(3-4), 335, 2003 |
| 8 |
The barrier to inversion of ammonia Leonard C, Carter S, Handy NC Chemical Physics Letters, 370(3-4), 360, 2003 |
| 9 |
On the representation of potential energy surfaces of polyatomic molecules in normal coordinates: II. Parameterisation of the force field Burcl R, Carter S, Handy NC Chemical Physics Letters, 373(3-4), 357, 2003 |
| 10 |
Infrared intensities from the MULTIMODE code Burcl R, Carter S, Handy NC Chemical Physics Letters, 380(3-4), 237, 2003 |