Calculation of spin-Hamiltonian constants for extended defects (VSi-VC)0 (Ky5) in silicon carbide polytype 3C-SiC Journal title: Semiconductor Physics, Quantum Electronics and Optoelectronics Authors: B.D. Shanina Subject(s):
Electronic structure and optical properties of HgSe Journal title: Semiconductor Physics, Quantum Electronics and Optoelectronics Authors: J.O. Akinlami Subject(s):
The Electronic, Optical and Lattice Dynamical Properties of YIr2X2 (X=Si, Ge) Polymorphs: A DFT Study Journal title: Aksaray University Journal of Science and Engineering Authors: Ahmet Bicer, Gokhan Surucu Subject(s):
Molecular models of monometallic-phenazine sandwich complexes M(phz)2 (M=Ti, Cr, Fe and Ni; phz=C12H8N2): A DFT investigation Journal title: Journal of New technology and Materials Authors: Meriem Merzoug, Bachir Zouchoune Subject(s): Technology, Chemical sciences, Physical sciences
Structural and Electronic Properties of Bimetallic AgnPd-(n =1 ~5) Cluster Journal title: 河南科技大学学报（自然科学版） Authors: Junna LIU, Huabo LI, Shuang ZHAO, Jun ZHANG Subject(s):
Structure of the interface «silica surface – electrolyte solution»: theoretical simulation Journal title: Хімія, фізика та технологія поверхні Authors: A. A. Kravchenko, E. M. Demianenko, A. G. Grebenyuk, V. V. Lobanov Subject(s):
Influence of atoms of nitrogen and boron atoms inserted into graphene-like matrix on molecular hydrogen adsorption Journal title: Поверхня Authors: E. M. Demyanenko, V. V. Lobanov, A. G. Grebenyuk, O. S. Karpenko, M. T. Kartel Subject(s):
Influence of grafted methoxysylyl groups on the interaction of the silica surface with dimethyl carbonate Journal title: Поверхня Authors: E. M. Demianenko, A. G. Grebenyuk, V. V. Lobanov, V. A. Tertykh, O. M. Tsendra-Boese, M. I. Terets Subject(s):
Insight into the structural and spectral (IR and UV-Vis) properties of the salts of alkali (Li, Na and K) and alkaline earth (Be, Mg and Ca) metals with pertechnetate oxoanion (99mTcO4-) as the convenient water-soluble sources of the radioactive element technetium Journal title: Asian Journal of Green Chemistry Authors: Mehdi Nabati Subject(s):
Response surface methodology: photodegradation of methyl orange by CuO/ZnO under UV light irradiation Journal title: Asian Journal of Green Chemistry Authors: Siti Nur Surhayani Jefri, Abdul Halim Abdullah, Ernee Noryana Muhamad Subject(s):
PHOTOELECTRON SPECTROSCOPY OF DIATOMIC MOLECULES: HYBRID DENSITY FUNCTIONAL AND GREEN’S FUNCTIONS APPROACH TO SENSING MOLECULAR CONSTANTS Journal title: Сенсорна електроніка і мікросистемні технології Authors: A. V. Ignatenko, O. Yu. Khetselius, Yu. Ya. Bunyakova, A. A. Svinarenko Subject(s):
A Theoretical Study on Structural and Elastic Properties of Ti3Al Journal title: Gazi Mühendislik Bilimleri Dergisi Authors: Subject(s):
Physiochemical, molecular docking, and pharmacokinetic studies of Naproxen and its modified derivatives based on DFT Journal title: International Journal of Scientific Research and Management Authors: Monir Uzzaman, Mohammed Jabedul Hoque Subject(s):
Studi Komputasi Metode Ab Initio Dft Dalam Kajian Struktural Dan Sifat Elektronik Senyawa Kalsium Borohidrid-Diamonia Sebagai Penyimpan Hidrogen Journal title: Eksakta: Jurnal Ilmu-Ilmu MIPA Authors: Subject(s): Chemistry, Applied
Modeling computational studies of modified drug molecules binding to the LRRK2 protein in the treatment of Parkinson’s disease Journal title: Engineering of Biomaterials / Inżynieria Biomateriałów Authors: H. Shah, J. A. Darsey Subject(s):
