The kernel energy method (KEM) delivers fast and accurate QTAIM electrostatic charge for atoms in large molecules
Author:
Publisher
Springer Science and Business Media LLC
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics
Link
http://link.springer.com/content/pdf/10.1007/s11224-015-0661-1.pdf
Reference35 articles.
1. Huang L, Massa L, Karle J (2005) Kernel energy method: application to insulin. Proc Natl Acad Sci USA 102:12690–12693
2. Huang L, Massa L, Karle J (2005) Kernel energy method illustrated with peptides. Int J Quantum Chem 103:808–817
3. Huang L, Massa L, Karle J (2005) Kernel energy method : application to DNA. Biochemistry 44:16747–16752
4. Huang L, Massa L, Karle J (2006) The kernel energy method: application to a tRNA. Proc Natl Acad Sci USA 103:1233–1237
5. Huang L, Massa L, Karle J (2009) Kernel energy method applied to vesicular stomatitis virus nucleoprotein. Proc Natl Acad Sci USA 106:1731–1736
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