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The top documents tagged [ab initio method]
Representing molecules as atomic-scale electrical circuits with fluctuating-charge models
109 views
Investigation into the phylogeny of odobenus rosmarus
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1 1.Introduction 2.Electronic properties of few-layer graphites with AB stacking 3.Electronic properties of few-layer graphites with AA and ABC stackings
223 views
Parallel Methods for Nano/Materials Science Applications Andrew Canning Computational Research Division LBNL & UC Davis, Applied Science Dept. (Electronic
224 views
AFM correlation and the pairing mechanism in the iron pnictides and the (overdoped) cuprates Fa Wang (Berkeley) Hui Zhai (Berkeley) Ying Ran (Berkeley)
219 views
Introduction Electronic properties of few-layer graphites with AB stacking
34 views
Introduction to Computational Chemistry
172 views
AFM correlation and the pairing mechanism in the iron pnictides and the (overdoped) cuprates
28 views
THE MICROWAVE STUDIES OF GUAIACOL (2-METHOXYPHENOL), ITS ISOTOPOLOGUES & VAN DER WAALS COMPLEXES Ranil M. Gurusinghe, Ashley Fox and Michael J. Tubergen,
219 views
Shape determination of proteins in solution using high throughput computing Donna Lammie
42 views