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Molecular Structure Simulation
from CCCCCptabio on 01/31/2023 09:29 AMCD ComputaBio can provide services to simulate macromolecule systems, which can be organic compounds or biological macromolecules. CD ComputaBio can perform molecular stratification, calculation path setting, and use Gaussian program to perform ONIOM calculation of organic compounds. Molecular Structure Simulation https://www.computabio.com/molecular-structure-simulation-service.html
ReplyMolecular Electrostatic Potential Calculation
from CCCCCptabio on 01/31/2023 09:29 AMThe molecular electrostatic potential (MEP) at a given point p(x,y,z) in the vicinity of a molecule is the force acting on a positive test charge (a proton) located at p through the electrical charge cloud generated through the molecules electrons and nuclei. Despite the fact that the molecular charge distribution remains unperturbed through the external test charge (no polarization occurs) the electrostatic potential of a molecule is still a good guide in assessing the molecules reactivity towards positively or negatively charged reactants. Molecular Electrostatic Potential Calculation https://www.computabio.com/molecular-electrostatic-potential-mep-calculation-service.html