Diffusion coefficient of copper, tin and copper tin alloy
Author(s): Mouas M. | Gasser J.-G. | Hellal S. | Grosdidier B. | Makradi A. | Belouettar S.

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.

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

On the method of pseudopotential for Schrödinger equation with nonlocal boundary conditions
Author(s): Yuriy Valentinovich Zasorin

Density functional investigation of silver, palladium and silver-palladium small sized clusters
Author(s): E. Carvajal | O. Hahn-Herrera | E. Orgaz

Study of superconducting state parameters of ternary metallic glasses through pseudopotential approach
Author(s): Aditya M Vora

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

Tellurium - modified surface states of GaAs(001) and InAs(001)
Author(s): Silva R. Claudino da | Ferraz A. C.

Anomalous width variation of rarefactive ion acoustic solitary waves in the context of auroral plasmas
Author(s): S. S. Ghosh | G. S. Lakhina

A coding measure scheme employing electron-ion interaction pseudopotential (EIIP)
Author(s): Achuthsankar S. Nair | Sivarama Pillai Sreenadhan

On the method of pseudopotential for Schrödinger equation with nonlocal boundary conditions
Author(s): Yuriy Valentinovich Zasorin

Evaluation of Bonding Orbitals in Amorphous Silicon by Means of the Chemical Pseudopotential Method
Author(s): M. A. Grado Caffaro | M. Grado Caffaro

四方晶相SrHfO3弹性性质、电子结构和光学性质的第一性原理计算 First-Principles Calculations of Elastic, Electronic and Optical Properties of Tetragonal SrHfO3 Crystal
Author(s): 丁建刚 | 冯丽萍 | 刘其军 | 刘正堂

Towards to Extraction of Nanodispersed Noble Metals From Natural Black Graphite Shales
Author(s): Victor G. Zavodinsky | Alexander I. Khanchuk | Elena A. Mikhailenko

Static and Vibrational Properties of Lithium Alloys Static and Vibrational Properties of Lithium Alloys Static and Vibrational Properties of Lithium Alloys
Author(s): Aditya M. Vora

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

Elastic Constants and Its Pressure Derivative of Boron Phosphide Using Higher-Order Perturbation Theory
Author(s): A.R. Jivani | A.R. Jani
