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Denny Elking - Publications

Affiliations: 
Structural Biology NIEHS/NIH, Durham, NC, United States 
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8 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
2016 Elking DM. Torque and atomic forces for Cartesian tensor atomic multipoles with an application to crystal unit cell optimization. Journal of Computational Chemistry. 37: 2067-80. PMID 27349179 DOI: 10.1002/jcc.24427  0.426
2012 Elking DM, Perera L, Pedersen LG. HPAM: Hirshfeld Partitioned Atomic Multipoles. Computer Physics Communications. 183: 390-397. PMID 22140274 DOI: 10.1016/J.Cpc.2011.10.003  0.537
2011 Elking DM, Perera L, Duke R, Darden T, Pedersen LG. A finite field method for calculating molecular polarizability tensors for arbitrary multipole rank. Journal of Computational Chemistry. 32: 3283-95. PMID 21915883 DOI: 10.1002/Jcc.21914  0.489
2010 Elking DM, Perera L, Duke R, Darden T, Pedersen LG. Atomic forces for geometry-dependent point multipole and gaussian multipole models. Journal of Computational Chemistry. 31: 2702-13. PMID 20839297 DOI: 10.1002/Jcc.21563  0.543
2010 Elking DM, Cisneros GA, Piquemal JP, Darden TA, Pedersen LG. Gaussian Multipole Model (GMM). Journal of Chemical Theory and Computation. 6: 190-202. PMID 20209077 DOI: 10.1021/Ct900348B  0.539
2008 Cisneros GA, Tholander SN, Parisel O, Darden TA, Elking D, Perera L, Piquemal JP. Simple Formulas for Improved Point-Charge Electrostatics in Classical Force Fields and Hybrid Quantum Mechanical/Molecular Mechanical Embedding. International Journal of Quantum Chemistry. 108: 1905-1912. PMID 19606279 DOI: 10.1002/Qua.21675  0.536
2007 Cisneros GA, Elking D, Piquemal JP, Darden TA. Numerical fitting of molecular properties to Hermite Gaussians. The Journal of Physical Chemistry. A. 111: 12049-56. PMID 17973464 DOI: 10.1021/Jp074817R  0.508
2007 Elking D, Darden T, Woods RJ. Gaussian induced dipole polarization model. Journal of Computational Chemistry. 28: 1261-74. PMID 17299773 DOI: 10.1002/Jcc.20574  0.424
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