Entropy in general, is termed as the measure or determination of improbability a system. This opulent idea has invited wide interest while discussing and dealing with multidimensional aspects applied mathematical chemistry. idea, pertaining to graph theory, was first 1955. In same way nodes edges create network system chemistry, networks are built up form Carbon nanotubes, on other hand, well-k...

The judicious application of ligand or binding efficiencies, which quantify the molecular properties required to gain binding affinity for a drug target, is gaining traction in the selection and optimisation of fragments, hits, and leads. Retrospective analysis of recently marketed oral drugs shows that they frequently have highly optimised ligand efficiency values for their target. Optimising ...

saeed baghery was born in amol/mazandaran (iran) in 1985. he completed his b.sc. in pure chemistry in 2009 from islamic azad university of amol, mazandaran, iran. he was graduated from m.sc. degree under the supervision of dr. seyed mohammad vahdat in organic chemistry from islamic azad university of amol, mazandaran, iran. he is currently organic chemistry ph.d student under the supervision of...

The mathematics used in physical chemistry has changed greatly the past forty years and it will certainly continue to change more quickly. Theoretical chemists physicists must have an acquaintance with abstract if they are keep up their field, as mathematical language which is expressed changes. Thinking about it, this article, we want show some of most important concepts Mathematical Analysis ...

1 Structure & Reactivity of Transition Metal Systems The substantial decrease in execution times afforded by the new hardware facilitated an enormous number of calculations spanning four main areas of transition metal chemistry: organometallic chemistry; coordination chemistry; development of new methodologies; and bioinorganic chemistry. Much of the research involved geometry optimisation of m...

existence of words and concepts of basic sciences including mathematics, geology, biology, chemistry and physics in the poetry causes many form and conceptual rises and falls for which further investigation and criticism are necessary. science always accompanies with accuracy and science introduction  into poetic and literary  area will also involve it in accuracy and give it more depth. someti...

toktam faal rastegar was born in quchan (iran). she completed her b.sc. in chemistry in 2005 from ferdowsi university, mashhad. she was graduated from m.sc. degree in organic chemistry from bu-ali sina university (2008), hamadan, iran. she is currently organic chemistry ph.d student under the supervision of prof. a. khazaei and prof. m.a. zolfigol in department of chemistry at bu-ali sina unive...

We present a short introduction to the models in use for the simulation of the evolution of a molecular system in the context of Quantum Chemistry. We explain how these models can provide experts at control theory with interesting topics of investigation, and how control theory can in turn be of great usefulness in the modelling of the laser control of chemical reactions. Some tracks for mathem...

There has always been a close relationship between mathematics and the sciences (astronomy, chemistry, engineering, physics, etc.). When applying mathematics to study some physical phenomenon, it is often the case that we arrive at a mathematical model (an equation or set of equations) of the phenomenon that cannot be conveniently solved with exact formulas. The following classical example from...

The research activity of the Chair of Colloid and Environmental Chemistry concentrates on the studies of processes in heterogeneous and nanostructured systems and the development of new analytical tools and methods which can be used for the environmental-friendly treatment of wastes. We are working out mathematical models for transition processes of pollutants in solid and liquid industrial was...