Chemistry-Study and teaching; Chemistry, Physical and theoretical; Nuclear chemistry; Quantum chemistry; Thermodynamics; Statistical mechanics; Chemical kinetics; Molecules-Models; Polymorphism (Crystallography); Solid state chemistry
An annotated bibliography of Physical Chemistry, with links to sources of chemical data on the World Wide Web involving general information, fundamental constants, nuclear chemistry, quantum mechanics, spectroscopy, statistical mechanics,...
Chemistry-Study and teaching; Handouts; Homework; Problem solving; Chemical bonds; Quantum theory; Molecular orbitals; Molecules-Models
Three multi-part questions with the goal of applying the theory of quantum mechanics and methods of molecular modeling to a diatomic molecule and the polyatomic molecule. It deals with molecular orbital theory and chemical bonding.
Chemistry-Study and teaching; Chemistry, Physical and theoretical
Students are instructed to use the Unix version of Spartan that is installed on six SGI workstations in the Computational
Biology teaching laboratory to complete these five modeling excercises. Additional resources are included.
Chemistry-Study and teaching; Homework; Molecular structure; Molecules-Models; Quantum chemistry
This is the Molecular Zoo entry for formic anhydride and therefore describes the detailed three-dimensional, gas-phase structure of formic anhydride produced by instrumental and computational methods. It also offers a critical comparison of these...
An annotated bibliography for Biochemistry, with links to sources of chemical data on the World Wide Web involving general resources, protein structure, the structure and chemistry of nucleic acids, enzymology and protein chemistry.
Chemistry-Study and teaching; Handouts; Valence (Theoretical chemistry); Chemical bonds; Electrons; Molecular orbitals
In class, we have used the Valence Bond (VB) approach to understand chemical
bonding. At the qualitative level, VB is relatively easy to use and does not require a deep
knowledge of quantum mechanics and group theory. The electron-dot formalism of...
Chemistry-Study and teaching; Homework; Dimers; Quantum chemistry; Molecules-Models; Isomerism
Exercise in which the task is to employ the ab initio quantum mechanics features of Spartan in the identification and characterization of the stable form(s) of the dimer. Calculate both the energy and vibrational frequencies and construct the...
Chemistry-Study and teaching; Homework; Molecular structure; Molecules-Models
This index for the Molecular Zoo provides for selected organic molecules results from experimental and modeling methods. These instrumental and computational methods produce detailed three-dimensional, gas-phase structures; the results enable a...