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The top documents tagged [ab initio method]
Representing molecules as atomic-scale electrical circuits with fluctuating-charge models
106 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
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Introduction Electronic properties of few-layer graphites with AB stacking
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Introduction to Computational Chemistry
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THE MICROWAVE STUDIES OF GUAIACOL (2-METHOXYPHENOL), ITS ISOTOPOLOGUES & VAN DER WAALS COMPLEXES Ranil M. Gurusinghe, Ashley Fox and Michael J. Tubergen,
217 views
Parallel Methods for Nano/Materials Science Applications Andrew Canning Computational Research Division LBNL & UC Davis, Applied Science Dept. (Electronic
221 views
AFM correlation and the pairing mechanism in the iron pnictides and the (overdoped) cuprates Fa Wang (Berkeley) Hui Zhai (Berkeley) Ying Ran (Berkeley)
217 views
AFM correlation and the pairing mechanism in the iron pnictides and the (overdoped) cuprates
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Shape determination of proteins in solution using high throughput computing Donna Lammie
38 views