The severe fever with thrombocytopenia syndrome virus (SFTSV) is a tick-borne human-infecting bunyavirus, which utilizes two envelope glycoproteins, Gn and Gc, to enter host cells. However, the structure and organization of these glycoproteins on virion
The convergence criterion for self-consistent calculation satisfied the condition that the Hellmann–Feyman force is lower than 0.01 eV/Å, and the energy criterion converged to 10−6 eV/atom. Figure 1 describes the cubic crystal structure of an FeTi unit cell, and the space group belongs ...
XPS results showed that, in addition to the NH3 atmosphere-N doped into VO2 lattice, the pyrrolidone-N introduced N-containing groups with N–N, N–O, or N–H bonds into the vicinity of the surface or void of the film in the form of molecular adsorption or atom (N, O, and H) ...
Band structure and fermi surface of copper Hi I've been searching on the web for this two topics, band structure and fermi surface, both of copper. I can't find any of them from a free source, I am doing just a report of my class of introduction to solid state and I just have fo...
The severe fever with thrombocytopenia syndrome virus (SFTSV) is a tick-borne human-infecting bunyavirus, which utilizes two envelope glycoproteins, Gn and Gc, to enter host cells. However, the structure and organization of these glycoproteins on virion
of an open 3d shell for each Co atom leads to the possibility of the existence of electronic states of the Co4O(piv)6complex with Multiplicities 1, 3, 5, 7, 9, 11, and 13. For them, the CASSCF and XMCQDPT2 calculations predict similar energies, identical shapes of active orbitals, ...
Versions Notes Abstract In this paper, both methods (DFT and HF) were used in a theoretical investigation of 3-bromo-2-Hydroxypyridine (3-Br-2HyP) molecules where the molecular structures of the title compound have been optimized. Molecular electrostatic potential (MEP) was computed using the B3...
Versions Notes Abstract Porphyrins are versatile structures capable of acting in multiple ways. A mixed substituted A3B porphyrin, 5-(3-hydroxy-phenyl)-10,15,20-tris-(3-methoxy-phenyl)-porphyrin and its Pt(II) complex, were synthesised and fully characterised by 1H- and 13C-NMR, TLC, UV...
Versions Notes Abstract Ketamine analogues have been emerging in recent years and are causing severe health and social problems worldwide. Ketamine analogues use 2-phenyl-2-aminocyclohexanone as the basic structure and achieve physiological reactions similar to or even more robust than the prototype of...
Versions Notes Abstract A series of 30-diethylphosphate derivatives of betulin were synthesized and evaluated for their in vitro cytotoxic activity against human cancer cell lines, such as amelanotic melanoma (C-32), glioblastoma (SNB-19), and two lines of breast cancer (T47D, MDA-MB-231)....