Works (3)
Updated: July 5th, 2023 15:58
2006 journal article
Ab initio band bending, metal-induced gap states, and Schottky barriers of a carbon and a boron nitride nanotube device
PHYSICAL REVIEW B, 73(23).
Source: Web Of Science
Added: August 6, 2018
2004 journal article
Ab initio calculation of electrostatic multipoles with Wannier functions for large-scale biomolecular simulations
JOURNAL OF CHEMICAL PHYSICS, 120(9), 4530–4544.
MeSH headings : Algorithms; Biopolymers / chemistry; Computer Simulation; Electrochemistry / methods; Models, Chemical; Models, Molecular; Static Electricity
TL;DR:
Tests on isolated molecules and water dimers, show that the molecular electrostatic potentials generated by such a Wannier-function based approach are in excellent agreement with the density functional-based calculations.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Source: Web Of Science
Added: August 6, 2018
2004 journal article
Quantum transport through short semiconducting nanotubes: A complex band structure analysis
PHYSICAL REVIEW B, 70(11).
Source: Web Of Science
Added: August 6, 2018
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