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).

By: K. Odbadrakh n, P. Pomorski n & C. Roland n

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.

By: C. Sagui n, P. Pomorski n, T. Darden* & C. Roland n

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
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).

By: P. Pomorski n, C. Roland n & H. Guo*

Source: Web Of Science
Added: August 6, 2018

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