at the present study, different properties of sarin with the formula [(ch3)2cho]ch3pof was studiedin gas phase. geometrical optimizations of sarin, single point calculation, nmr and electricalparameters were carried out in gas phase with the hartee -fock method coupled to 6-31g* basis setsfor all atoms. the results obtained from a comparison between tables and charts came up fordiscussion and a...

in this work, we have studied the solvent effects on values of gibbs free energy, enthalpy. entropy and dipolemoment in spread of solvents around anticancer thug of temreolomide that is an alighting agent. for thispurpose, the quantum mechanic calculations bawd on hanrertnick theory at the sto-36/3-2ith levels havebeen done. moreover, we have compared resulted thermodynamic values in gas phase ...

It is supposed the alternative to Quantum Mechanics Axiomatic. Fluctu-ational Theory save the Mathematics of Quantum Mechanic without change, naming this Mathematics as Method of Indirect Computation. Fluctuational Theory is delete the axiomatic of Quantum Mechanics and replaces it by the assumption of Gravitational Noise. This assumption is connects the Method of Indirect Computation to the Cl...

Aquaporins are integral membrane proteins from a larger family of major intrinsic proteins that formpores in the membrane of biological cells. Aquaporins form tetramers in the cell membrane with eachmonomer acting as a water channel.In this research, the AQP4 tetramer was modeled from its PDBstructure file, then, we have performed the intraction of aquaporin4 in different temperatures (298k,300...

In this work, we have studied the solvent effects on values of Gibbs free energy, enthalpy. entropy and dipolemoment in spread of solvents around anticancer thug of temreolomide that is an alighting agent. For thispurpose, the quantum mechanic calculations bawd on Hanrertnick theory at the STO-36/3-2Ith levels havebeen done. Moreover, we have compared resulted thermodynamic values in gas phase ...

At the present study, different properties of Sarin with the formula [(CH3)2CHO]CH3POF was studiedin gas phase. Geometrical optimizations of Sarin, single point calculation, NMR and Electricalparameters were carried out in gas phase with the Hartee -Fock method coupled to 6-31g* basis setsfor all atoms. The results obtained from a comparison between tables and charts came up fordiscussion and a...

Quantum chemists we are seldom concern with phenomena involving variations in the number of particles, so they do not need to resort to quantum field theories to lay the foundations of their work (one exception are certain spectroscopic phenomena with require a quantum description of electromagnetic radiation). The standard quantum mechanic theory for material particles is then a sufficient bas...

aquaporins are integral membrane proteins from a larger family of major intrinsic proteins that formpores in the membrane of biological cells. aquaporins form tetramers in the cell membrane with eachmonomer acting as a water channel.in this research, the aqp4 tetramer was modeled from its pdbstructure file, then, we have performed the intraction of aquaporin4 in different temperatures (298k,300...