David K. Malick, Ph.D. - Publications

Institution:
Wesleyan University, Middletown, CT, United States
Area:
Theoretical and Computation Chemistry

7 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2008 Ko C, Malick DK, Braden DA, Friesner RA, Martínez TJ. Pseudospectral time-dependent density functional theory. The Journal of Chemical Physics. 128: 104103. PMID 18345873 DOI: 10.1063/1.2834222  0.372
2006 Petersson GA, Malick DK, Frisch MJ, Braunstein M. 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. PMID 16942134 DOI: 10.1063/1.2212930  0.578
2005 Petersson GA, Malick DK, Frisch MJ, Braunstein M. The convergence of complete active space self-consistent-field energies to the complete basis set limit. The Journal of Chemical Physics. 123: 074111. PMID 16229563 DOI: 10.1063/1.1999630  0.571
1998 Petersson GA, Malick DK, Wilson WG, Ochterski JW, Montgomery JA, Frisch MJ. Calibration and comparison of the Gaussian-2, complete basis set, and density functional methods for computational thermochemistry Journal of Chemical Physics. 109: 10570-10579. DOI: 10.1063/1.477794  0.566
1998 Malick DK, Petersson GA, Montgomery JA. Transition states for chemical reactions I. Geometry and classical barrier height Journal of Chemical Physics. 108: 5704-5713. DOI: 10.1063/1.476317  0.602
1998 Zhang XM, Malick D, Petersson GA. Enolization Enthalpies for Aliphatic Carbonyl and Thiocarbonyl Compounds Journal of Organic Chemistry. 63: 5314-5317. DOI: 10.1021/Jo972157O  0.511
1998 Malick DK, Petersson GA, Montgomery JA. Transition states for chemical reactions I. Geometry and classical barrier height Journal of Chemical Physics. 108: 5704-5713.  0.521
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