5 тысяч подписчиков
33 видео
Geometry Optimization in Computational Chemistry
National Chemistry Week Demo: Precipitates
Molecular Simulations Part 2: Properties and Algorithms
Introduction to Density Functional Theory (DFT)
Introduction to Molecular Mechanics Part 2: Nonbonded Terms
Non-Dynamical (Static) Electron Correlation: Bond Breaking in Quantum Chemistry
Introduction to Hartree-Fock Molecular Orbital Theory Part 2
Introduction to Electron Spin Part 2
Introduction to Molecular Mechanics Part 1: Stretch, Bend, and Torsion Terms
National Chemistry Week Demos: pH of household items
Orbitals and Electron Configurations Part 1
Basis Sets part 2
Introduction to Molecular Mechanics Part 4: Cross Terms Accuracy and QM/MM
Introduction to Hartree-Fock Molecular Orbital Theory Part 1
The Hartree-Fock Algorithm
Intro to Electronic Structure Theory Part 3
Research in the Sherrill group
Intro to Electronic Structure Theory Part 2
National Chemistry Week Demo: Electrolytes
Orbitals and Electron Configurations Part 2
Basis Sets part 1
Introduction to Electron Spin Part 1
Molecular Simulations Part 1: Molecular Dynamics and Monte Carlo