材料數(shù)據(jù)庫(kù)
(2)Computational Marerials Repository
(3)Springer 包括半導(dǎo)體狂鞋、介電材料及陶瓷材料數(shù)據(jù)
(4)【日本材料數(shù)據(jù)庫(kù)】
(6)電子結(jié)構(gòu)數(shù)據(jù)庫(kù)
(7)晶體結(jié)構(gòu)材料數(shù)據(jù)庫(kù)ICSD
Electronegativity電負(fù)差計(jì)算:
http://www.meta-synthesis.com/webbook/91_paper_2/electronegativity_paper.html
http://www.meta-synthesis.com/webbook/36_eneg/electroneg.html
國(guó)外大神博客:http://hjkgrp.mit.edu/Tutorials
計(jì)算軟件:http://www.quantum-espresso.org