enzymes catalyze many biological reactions. the rates of chemical reaction in the presence ofenzymes are, in some cases, accelerated more than 10 orders of magnitude relative to thecorresponding rates in solution.in this paper a comparison between optimized structures of two enzyme molecules in aspect ofenergy and dipole moment in different conditions including presence of metallic ion, without...

We derive the explicit analytical form for charge-dipole and dipole-dipole interactions in two-dimensional (2D) configuration space. demonstrate that reduction of dimensionality can alter 2D case. The asymptotics these at long distances coincide to three-dimensional obtained will find wide application contribute advancement research on novel materials.

continuous and lengthy droughts in previous years not only in the southern provinces of iran but also in the whole country necessitate optimized water management. indian ocean and adjacent seas in south of iran are suppliers of part of the humidity in the region and the variation on indian ocean sea surface temperature has an important role in evaporation from oceans and input humidity into atm...

theoretically predictionq of the solvent effects of i - pentadecanoyl - 2 -docosahexaennyl - sn - glycerol3 - phosphocholin have been studied using 'jamey-lock quantiun chemical approximation and std - 30basis set within the onsager self-consistent reaction field (scrs') model all optimized conformers of i -pentadecanoyl - 2 -docosahexaenoyi - sn - glycerol 3 - phosphocholin as well as their to...

NBO analysis, hybrid density functional theory (B3LYP/6-311+G**) and ab initio molecular orbital (HF/6-311+G**) based methods were used to study the anomeric effects (AE), electrostatic interactions, dipole-dipole interactions and steric repulsion effects on the conformational properties of 2-methoxy- (1), 2-methylthio- (2), 2-methylseleno- (3), 2-fluoro- (4), 2-chloro- (5) and 2-bromocyclohexa...

Theoretically predictionq of the solvent effects of I - pentadecanoyl - 2 -docosahexaennyl - Sn - glycerol3 - phosphocholin have been studied using 'Jamey-lock quantiun chemical approximation and STD - 30basis set within the Onsager Self-Consistent Reaction field (SCRS') model All optimized conformers of I -pentadecanoyl - 2 -docosahexaenoyI - Sn - glycerol 3 - phosphocholin as well as their to...

The littlest Higgs model with T-parity, which is called LHT model, predicts the existence of the new particles, such as heavy top quark, heavy gauge bosons, and mirror fermions. We calculate the one-loop contributions of these new particles to the top quark chromomagnetic dipole moment (CMDM) ∆K. We find that the contribution of the LHT model is one order of magnitude smaller than the standard ...