검색결과 : 10건
| No. | Article |
|---|---|
| 1 |
Addressing the Environment Electrostatic Effect on Ballistic Electron Transport in Large Systems: A QM/MM-NEGF Approach Feliciano GT, Sanz-Navarro C, Coutinho-Neto MD, Ordejon P, Scheicher RH, Rocha AR Journal of Physical Chemistry B, 122(2), 485, 2018 |
| 2 |
On Monolayer Formation of Pyrenebutyric Acid on Graphene Hinnemo M, Zhao J, Ahlberg P, Hagglund C, Djurberg V, Scheicher RH, Zhang SL, Zhang ZB Langmuir, 33(15), 3588, 2017 |
| 3 |
Hydrogenation-Induced Structure and Property Changes in the Rare-Earth Metal Gallide NdGa: Evolution of a [GaH](2-) Polyanion Containing Peierls-like Ga-H Chains Angstrom J, Johansson R, Sarkar T, Sorby MH, Zlotea C, Andersson MS, Nordblad P, Scheicher RH, Haussermann U, Sahlberg M Inorganic Chemistry, 55(1), 345, 2016 |
| 4 |
Hydrogen storage properties of the pseudo binary laves phase (Sc1-xZrx)(Co1-yNiy)(2) system Angstrom J, Johansson R, Rude LH, Gundlach C, Scheicher RH, Ahuja R, Eriksson O, Jensen TR, Sahlberg M International Journal of Hydrogen Energy, 38(23), 9772, 2013 |
| 5 |
First-principles investigation of Li ion diffusion in Li2FeSiO4 Araujo RB, Scheicher RH, de Almeida JS, da Silva AF, Ahuja R Solid State Ionics, 247, 8, 2013 |
| 6 |
DNA sequencing with nanopores from an ab initio perspective Scheicher RH, Grigoriev A, Ahuja R Journal of Materials Science, 47(21), 7439, 2012 |
| 7 |
Enhanced DNA Sequencing Performance Through Edge-Hydrogenation of Graphene Electrodes He YH, Scheicher RH, Grigoriev A, Ahuja R, Long SB, Huo ZL, Liu M Advanced Functional Materials, 21(14), 2674, 2011 |
| 8 |
Hydrogen binding in alkali-decorated iso-reticular metal organic framework-16 based on Zn, Mg, and Ca Srepusharawoot P, Blomqvist A, Araujo CM, Scheicher RH, Ahuja R International Journal of Hydrogen Energy, 36(1), 555, 2011 |
| 9 |
Internal vibrations of the Li(NH3)(4)(+) complex analyzed from ab initio, density functional theory, and the classical spring network model Pinsook U, Scheicher RH, Ahuja R, Hannongbua S Journal of Physical Chemistry A, 112(24), 5323, 2008 |
| 10 |
Binding strength of sodium ions in cellulose for different water contents Deshpande MD, Scheicher RH, Ahuja R, Pandey R Journal of Physical Chemistry B, 112(30), 8985, 2008 |