Class Central is learner-supported. When you buy through links on our site, we may earn an affiliate commission.

YouTube

Solvent Models in Molecular Quantum Chemistry Calculations - Session 8

QChemSoftware via YouTube

Overview

Save Big on Coursera Plus. 7,000+ courses at $160 off. Limited Time Only!
Explore solvent models in molecular quantum chemistry calculations with Prof. John Herbert from Ohio State University. Delve into continuum electrostatics, electrostatic solvation energies, and various solvent models. Examine error statistics, vertical ionization, and excitation energies. Learn about the philosophy behind these models and their practical applications through examples. This 28-minute conference talk, part of the Q-Chem Workshop in the 2023 Virtual Winter School in Computational Chemistry, provides valuable insights for researchers and students in the field of computational chemistry.

Syllabus

Intro
Statement of Philosophy
Continuum electrostatics
electrostatic solvation energies
Example
Solvent Models
Error Statistics
Vertical Ionization
Phenomenology
Excitation energies
Questions

Taught by

QChemSoftware

Reviews

Start your review of Solvent Models in Molecular Quantum Chemistry Calculations - Session 8

Never Stop Learning.

Get personalized course recommendations, track subjects and courses with reminders, and more.

Someone learning on their laptop while sitting on the floor.