David K. Malick, Ph.D.
Institution:
Wesleyan University, Middletown, CT, United StatesArea:
Theoretical and Computation ChemistryGoogle:
"David Malick"Mean distance: 7.91 | S | N | B | C | P |
Parents
Sign in to add mentor| George A. Petersson | grad student | 2000 | Wesleyan | |
| (A step toward ab initio kinetics.) | ||||
BETA: Related publications
See more...
Publications
|
You can help our author matching system! If you notice any publications incorrectly attributed to this author, please sign in and mark matches as correct or incorrect. |
| Ko C, Malick DK, Braden DA, et al. (2008) Pseudospectral time-dependent density functional theory. The Journal of Chemical Physics. 128: 104103 |
| Petersson GA, Malick DK, Frisch MJ, et al. (2006) The convergence of complete active space self-consistent-field configuration interaction including all single and double excitation energies to the complete basis set limit. The Journal of Chemical Physics. 125: 44107 |
| Petersson GA, Malick DK, Frisch MJ, et al. (2005) The convergence of complete active space self-consistent-field energies to the complete basis set limit. The Journal of Chemical Physics. 123: 074111 |
| Petersson GA, Malick DK, Wilson WG, et al. (1998) Calibration and comparison of the Gaussian-2, complete basis set, and density functional methods for computational thermochemistry Journal of Chemical Physics. 109: 10570-10579 |
| Malick DK, Petersson GA, Montgomery JA. (1998) Transition states for chemical reactions I. Geometry and classical barrier height Journal of Chemical Physics. 108: 5704-5713 |
| Zhang XM, Malick D, Petersson GA. (1998) Enolization Enthalpies for Aliphatic Carbonyl and Thiocarbonyl Compounds Journal of Organic Chemistry. 63: 5314-5317 |
| Malick DK, Petersson GA, Montgomery JA. (1998) Transition states for chemical reactions I. Geometry and classical barrier height Journal of Chemical Physics. 108: 5704-5713 |