This supplement will provide all the necessary instructions to use Mathematica computational software to aid in solving Dynamics problems. You are encouraged to open your ...

An analytical algorithm for the calculation of molecular volume based on a model of partially overlapping spheres is presented. The algorithm takes into account the volume of ...

In this paper it is shown that one can numerically compute the angle between atomic bonds and length bonds in NO2 molecule with a good agreement with experimental data. ...

The quantum mechanical Schrödinger equation for the vibrational motion of a diatomic molecule is solved to arbitrary order of Rayleigh-Schrödinger perturbation theory by ...

After a few initial chapters on the basics of Mathematica, the logic of this book is controlled by group theory. The book has three major parts. Part I begins with the most ...

The [FHCl]- molecular anion has been investigated in detail by means of state-of-the-art ab initio electronic structure methods, including restricted Hartree-Fock (RHF), ...

Stagewise operation with two different recycle types are considered. The five stages extraction cascade is solved using Mathematica. A tank holding the solvent is connected ...

The dynamics of semistiff polymers in solution is a subject that has attracted great interest over the past two decades but has made only slow progress due to the difficulty ...

Since the early 1980s there has been a tremendous effort made in the mathematical modeling of the human immunodeficiency virus (HIV), the virus which causes AIDS (Acquired ...