In this paper we propose a simulation study to carry out dynamic analysis of CNTFET-based digital circuit, introducing in the semi-empirical compact model for CNTFETs, already proposed by us, both the quantum capacitance effects and the sub-threshold currents. To verify the validity of the obtained results, a comparison with Wong model was carried out. Our mode...

Objective(s): The novel 7-hydroxycoumarinyl gallates derivatives are detected in many pharmaceutical compounds like anticancer and antimicrobial agents. Whereas carbon nanotubes (CNTs) have been discussed for nanomedicine applications and in particular as drug delivery systems. The capability of armchair (5, 5) SWCNT -based drug delivery system in the therapy of anticancer has been investigated...

The harmonic oscillator in anti de Sitter space(AdS) is discussed. We consider the harmonic oscillator potential and then time independent Schrodinger equation in AdS space. Then we apply the supersymmetric Quantum Mechanics approach to solve our differential equation. In this paper we have solved Schrodinger equation for harmonic oscillator in AdS spacetime by supersymmetry approach. The shape...

Using the usual definitions of information and entropy in quantum gravity and statistical mechanics and the existing views about the relation between information and complexity, we examine the evolution of complexity in an ever expanding universe.

By employing the methods of molecular mechanics, semi-empirical quantum-chemical РМ3 and Monte-Carlo, the positioning of monocyclopentadienylferrum (II) molecules in double-walled (5,5)@(10,10) carbon nanotubes (CNT) depending on their concentration and temperature has been studied. The molecules have been found out to form stable bonds with CNT walls, with a tendency between intercalate stabil...

Circular Dichroism (CD) spectroscopy is a powerful method for investigating conformational changes in proteins and therefore has numerous applications in structural and molecular biology. Here a computational investigation of the CD spectrum of the Human Carbonic Anhydrase II (HCAII), with main focus on the near-UV CD spectra of the wild-type enzyme and it seven tryptophan mutant forms, is pres...

an attempt is made to show in a straightforward way how a body-fixed frame may be constructed in classical and hence in quantum mechanics for a polyatomic molecule with the aid of which the vibration-rotation behavior of the molecule may be described.

The spectroscopic data for a range of cyclopenta-[d][1,2,3]-triazine derivative dyes have been evaluated using various standard computational approaches. Absorption these were obtained the ZINDO/S semi-empirical model vertical excitation energies structures optimised with AM1, PM3, and PM6 methods. These studies conducted under vacuum solution states polarisation continuum (PCM) implicit solvat...

In the crystal structures of the diastereoisomers of O-tosylcinchonidine [(9R)-cinchon-9-yl 4-methylbenzenesulfonate], (I), and O-tosylcinchonine [(9S)-cinchon-9-yl 4-methylbenzenesulfonate], (II), both C(26)H(28)N(2)O(3)S, both molecules are in an anti-closed conformation and, in each case, the position of the aryl ring of the tosylate system is influenced by an intramolecular C-H···O hydrogen...