David K. Malick, Ph.D. - Publications
Institution:
Wesleyan University, Middletown, CT, United StatesArea:
Theoretical and Computation ChemistryYear | Citation | Score | |||
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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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