United States Air Force Academy

Optimization of parameters for semiempirical methods I. Method

Abstract A new method for obtaining optimized parameters for semiempirical methods has been developed and applied to the modified neglect of diatomic overlap (MNDO) method. The ...

Optimization of parameters for semiempirical methods II. Applications

Abstract MNDO/AM1‐type parameters for twelve elements have been optimized using a newly developed method for optimizing parameters for semiempirical methods. With the new method...

MOPAC: A semiempirical molecular orbital program

A short history of ionic liquids—from molten salts to neoteric solvents

Ionic liquids, defined here as salts with melting temperatures below 100 °C, evolved from traditional high temperature molten salts. Some materials we would now recognize as ion...

Residual Algorithms: Reinforcement Learning with Function Approximation

Mini review on photocatalysis of titanium dioxide nanoparticles and their solar applications

Ionic Liquids in Perspective: The Past with an Eye Toward the Industrial Future

Molten salts have a long and important history in industrial chemistry, but ionic liquids have found industrial applications more recently. The "modern" history of ionic liquids...