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Search Articles for "Pseudopotential"

Diffusion coefficient of copper, tin and copper tin alloy

Author(s): Mouas M. | Gasser J.-G. | Hellal S. | Grosdidier B. | Makradi A. | Belouettar S.
Band offsets in strained layer superlattices

Author(s): M. Oloumi | C. C. Matthai | T. H. Shen
An Orbital-free Molecular Dynamics Study of Static and Dynamic Properties of Liquid Sn

Author(s): Bhuiyan G. M. | González L.E. | González D.J.
Structural Properties and Phonon dispertion of NACl

Author(s): R. Khoda-Bakhsh | M. Jamiyaty
Modelo teórico quântico para o processo de adsorção física

Author(s): Morgon Nelson Henrique | Soares Álvaro Guedes
O uso de pseudopotenciais e modelos HF/MP2/DFT na previsão de freqüências vibracionais em complexos metálicos

Author(s): Giannerini Tiago | Soto Claudio Alberto Téllez | Hollauer Eduardo
First-principles study of the adsorption of PH3 on Ge(001) and Si(001) surfaces

Author(s): Miotto R. | Ferraz A. C. | Srivastava G.P.
Temperature Behavior of Exciton Absorption Bands in PbI2 Layer Crystals

Author(s): V. Kramar | N. Kramar | B. Nitsowich
Optical Spectra Calculations in Layer Semiconductor 2H-PbI2

Author(s): N. Kramar | V. Kramar | B. Nitsovich
Structure of thallium and lead calculated from Shaw local pseudopotential and molecular dynamics

Author(s): Grosdidier B. | Sbihi D. Es. | Ben Abdellah A. | Hellal S. | Gasser J. G.
Crystal and Electronic Structures, Photoluminescence Properties of Eu2+-Doped Novel Oxynitride Ba4Si6O16-3x/2Nx

Author(s): Yuanqiang Li | Yuan Fang | Naoto Hirosaki | Rong-Jun Xie | Lihong Liu | Takashi Takeda | Xiaoyun Li
Electronic structure of Y-123 for ambient and high pressures

Author(s): H. K. H. | M. R. M. | M. A.
Band structure of fcc-C60 solid state crystal study

Author(s): S Javanbakht | S Jalali Asadabadi
Tellurium - modified surface states of GaAs(001) and InAs(001)

Author(s): Silva R. Claudino da | Ferraz A. C.
On the adsorbed mass of polymers on surfaces (NOTE)

A coding measure scheme employing electron-ion interaction pseudopotential (EIIP)

Author(s): Achuthsankar S. Nair | Sivarama Pillai Sreenadhan
Towards to Extraction of Nanodispersed Noble Metals From Natural Black Graphite Shales

Author(s): Victor G. Zavodinsky | Alexander I. Khanchuk | Elena A. Mikhailenko
Diseño de nuevos materiales fotovoltaicos de banda intermedia

Author(s): Tablero, C. | Wahnón, P. | Palacios, P. | Fernández, J. J.
Density Functional Modelling of Elastic Properties of Elemental Semiconductors

Author(s): M. Verma | B.K. Sharma | G. Misra | P. Tripathi

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