THEORETICAL METHODS OF NANOSTRUCTURES INVESTIGATION
2017 ◽
Vol 18
(9)
◽
pp. 106-117
Keyword(s):
In this work, a review is presented concerning the most modern theoretical methods aimed at investigation of various nanostructures properties. The basic concepts of ab initio methods, density functional, semi-empirical and empirical methods are considered. The applicability boundaries of calculation schemes utilized in the aforementioned methods are denoted.
2014 ◽
Vol 16
(28)
◽
pp. 14368-14377
◽
Keyword(s):
2013 ◽
Vol 15
◽
pp. 1-17
◽
Keyword(s):
Keyword(s):
2011 ◽
Vol 115
(7)
◽
pp. 1280-1292
◽
1999 ◽
Vol 144
(1)
◽
pp. 785-788
◽
2002 ◽
Vol 106
(36)
◽
pp. 8471-8478
◽
Keyword(s):
An EXAFS investigation of chromocene on silica using empirical, semi-empirical and ab initio methods
1996 ◽
Vol 111
(3)
◽
pp. 297-305
◽