Volume 23 (2023)
Volume 22 (2022)
Volume 21 (2021)
Volume 20 (2020)
Volume 19 (2019)
Volume 18 (2018)
Volume 17 (2017)
Volume 16 (2016)
Volume 15 (2015)
Volume 14 (2014)
Volume 13 (2013)
Volume 12 (2012)
Volume 11 (2011)
Volume 10 (2010)
Volume 9 (2009)
Volume 8 (2008)
Volume 7 (2007)
Volume 6 (2006)
Volume 5 (2005)
Volume 4 (2004)
Volume 3 (2002)
Volume 2 (2000)
Volume 1 (1996)
Keywords = نظریۀ تابعی چگالی
Number of Articles: 8
Relativistic effects in the study of structure and electronic properties of UO2 within DFT+U method
Volume 23, Issue 3, December 2023, Pages 141-146
Comparison of SMC and OMC results in determining the ground-state and meta-stable states solutions for UO2 in the DFT+U method
Volume 23, Issue 3, December 2023, Pages 189-195
Theoretical investigation of using armchair and zigzag carbon nano rings for DNA sequencing based on density functional theory
Volume 22, Issue 4, March 2023, Pages 879-897
Spin-symmetry broken ground-state of UO2 in DFT+U approach: the SMC method
Volume 22, Issue 3, December 2022, Pages 175-184
Ab initio study of electronic and thermoelectric properties of a new B2CO monolayer
Volume 22, Issue 2, September 2022, Pages 305-313
Investigation of the interaction of 5-fluorouracil anticancer drug connected to the pristine, titanium doped boron phosphide nanocage (B12P12) with adenine nucleobases: by density functional theory
Volume 22, Issue 2, September 2022, Pages 565-584
Mobility and thermoelectric properties of semiconducting diamanes
Volume 22, Issue 1, May 2022, Pages 229-236
Investigation of electron transport properties in fullerene and fullerane nanocages
Volume 21, Issue 3, November 2021, Pages 441-448