نتایج جستجو برای: pdos molecular orbital

تعداد نتایج: 670547  

As cancer is the top killer diseases in the world, the scientists and researchers have been searching the new drugs and remedy methods. Most of the anticancer drugs are organic compounds which were approved by the FDA while metallodrugs are very rare. In the present time, some palladium and rhodium complexes are going to use as anticancer molecules. The palladium (II) complex has higher antican...

Journal: :international journal of nano dimension 0
razieh habibpour department of chemical technologies, iranian research organization for science and technology, p.o. box 3353-5111, tehran, i. r. iran eslam kashi department of chemical technologies, iranian research organization for science and technology, p.o. box 3353-5111, tehran, i. r. iran raheleh vaziri department of chemistry, payame noor university, p. o. box 19395-3697, tehran , i. r. iran

first-principle calculations were carried out to investigate the adsorption of co over cun nanoclusters. the structural, spectroscopic and electronic properties like optimized geometries, homo (highest occupied molecular orbital) and lumo (lowest unoccupied molecular orbital) energy levels, binding energy, adsorption energy, vibrational frequency and density of states (doss) of the pure cun nan...

Journal: :Journal of Personalized Medicine 2021

The emergence of three-dimensional human organoids has opened the door for development patient-derived cancer organoid (PDO) models, which closely recapitulate parental tumor tissue. mainstays preclinical modeling include in vitro cell lines and xenografts, but these models lack cellular heterogeneity seen tumors. Moreover, xenograft establishment is resource time intensive, rendering difficult...

2013
Ming Yu Xiong-wei Li

Pulsing Denial of Service (PDoS) is a type of DoS attack. Its attacking behavior is intermittent rather than constant, which helps it avoid being detected. In this paper, an adaptive detection method is proposed for source-end detection of PDoS attacks. It has three distinctive features: (i) its detection statistic is based on the discrepancy in the aggregated outbound and inbound packets; (ii)...

2004
Ali Arya Steve DiPaola

This paper proposes the Face Multimedia Object (FMO), and iFACE as a framework for implementing the face object within multimedia systems. FMO encapsulates all the functionality and data required for face animation. iFACE implements FMO and provides necessary interfaces for a variety of applications in order to access FMO services.

2001
Naoyuki Itagaki Shigeto Okabe Kiyomi Ikeda Isao Tanihata

The molecule-like structure of C isotopes (A = 12, 14, 16) is investigated using a microscopic α+α+α+n+n+·· model. The valence neutrons are classified based on the molecular-orbit (MO) model, and both π-orbit and σ-orbit are introduced around three α-clusters. The combination of the valence neutrons in the πand the σ-orbit is promising to stabilize the linear-chain state against the breathing a...

2018
Gilles Klopman Manton R. Frierson M. R. FRIERSON

Several recent studies have shown that OOHhas no greater reactivity than oHin the gas phase. This is in striking contrast to the solution phase observation that OOHhas an enhanced nucleophilicity over oH(the "alpha-effect") . The gas-phase results were thought to put into jeopardy the FMO orbital-splitting explanation of the alpha-effect, since, it was reasoned, such an effect should be indepen...

2006
Paula Jaramillo Patricio Fuentealba Patricia Pérez

A recently introduced empirical nucleophilicity index for a series of nand p-nucleophiles was evaluated. The index is based on the frontier molecular orbital information of the nucleophile and its electrophilic partner. The model is validated against kinetic data of alkenes, phosphanes, phosphites and amines interacting with the corresponding electrophilic partner. The predictive character of t...

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