Search Results - "Density-function methods"

Effects of spin contamination on the stability and spin density of wave function of graphene: comparison between first principle and density functional methods by Lee, Sin Ang, Shukri Sulaiman, Mohamed Ismail Mohamed-Ibrahim

Get full text
Get full text
Get full text

Structural, elastic, electronic, optical and thermal properties of c-SiGe2N4 by Bouhemadou, A., Yarub K.A, Al-Douri, Khenata, R., Haddadi, K.

Subjects: Get full text

Density Functional Theory Investigations on the Geometric and Electronic Structures of 4–Azidomethyl–6–Isopropyl–2H–Chromen–2–One by Toh, Pek Lan, Meepripruk, Montha, Lee, Sin Ang, Sulaiman, Shukri, Mohamed Ibrahim, Mohamed Ismail

Get full text
Get full text
Get full text

Catalytic, theoretical, and biological investigations of ternary metal (ii) complexes derived from l-valine-based Schiff bases and heterocyclic bases by Gopalakrishnan Sasikumar, Annadurai Subramani, Ramalingam Tamilarasan, Punniyamurthy Rajesh, Ponnusamy Sasikumar, Salim Albukhaty, Mustafa K. A. Mohammed, Subramani Karthikeyan, Zaidon T. Al-aqbi, Faris A. J. Al-Doghachi, Yap, Taufiq Yun Hin

Get full text
Get full text
Get full text

A new optimisation framework based on Monte Carlo embedded hybrid variant mean–variance mapping considering uncertainties by Norhafidzah, Mohd Saad, Muhamad Zahim, Sujod, Mohd Ikhwan, Muhammad Ridzuan, Mohammad Fadhil, Abas, Mohd Shawal, Jadin, Mohd Fadzil, Abdul Kadir

Get full text
Get full text
Get full text

Density functional study for structural, electronic, magnetic and chemical bonding properties of geometrically-frustrated CdCr₂O₄ by Bolandhemat, Najmeh

Get full text
Get full text