TIGER

Journal Articles: 22 results
Introducing the Practical Aspects of Computational Chemistry to Undergraduate Chemistry Students  Jason K. Pearson
Presents a laboratory exercise in which students use traditional second-year concepts such as the rigid rotor and harmonic oscillator approximations in conjunction with Gaussian 03 to reinforce practical aspects of computational chemistry.
Pearson, Jason K. J. Chem. Educ. 2007, 84, 1323.
Computational Chemistry |
MO Theory |
Quantum Chemistry |
Theoretical Chemistry
Do the Series in the Hydrogen Atom Spectrum Ever Overlap?  David W. Ball
Addresses the question, do the series in the hydrogen atom spectrum ever overlap?
Ball, David W. J. Chem. Educ. 2006, 83, 883.
Atomic Properties / Structure |
Quantum Chemistry |
Spectroscopy |
Atomic Spectroscopy
The "Dissing" of Niels Bohr  Andrew R. Peterson
Contributions made by Bohr to the Periodic Law.
Peterson, Andrew R. J. Chem. Educ. 2004, 81, 33.
Molecular Modeling |
Quantum Chemistry |
Atomic Properties / Structure |
Periodicity / Periodic Table
Semiconductor Nanocrystals: A Powerful Visual Aid for Introducing the Particle in a Box  Tadd Kippeny, Laura A. Swafford, and Sandra J. Rosenthal
Using semiconductor nanocrystals as a means for connecting lecture content in quantum mechanics, inorganic, and general chemistry to real-world technological problems.
Kippeny, Tadd; Swafford, Laura A.; Rosenthal, Sandra J. J. Chem. Educ. 2002, 79, 1094.
Quantum Chemistry |
Nanotechnology |
Solid State Chemistry |
Crystal Field / Ligand Field Theory |
Applications of Chemistry
Have Orbitals Really Been Observed?  Eric R. Scerri
Recent reports claiming to have observed textbook d orbitals are analyzed and it is argued that what was observed indirectly, and not for the first time, was actually electron density. It is also suggested that the tendency to use the terms electron density and orbital to mean the same thing will give rise to confusion in chemical education.
Scerri, Eric R. J. Chem. Educ. 2000, 77, 1492.
Computational Chemistry |
MO Theory |
Quantum Chemistry |
Theoretical Chemistry
Banish quantum mechanics from general chemistry?   Schaefer, Henry F., III.
Is the subject of quantum mechanics unteach-able at the general level? This author disagrees with a previous article in which a case was made for removing quantum mechanics from general chemistry.
Schaefer, Henry F., III. J. Chem. Educ. 1993, 70, 782.
Atomic Spectroscopy |
Quantum Chemistry
The nature of the chemical bond - 1992  Pauling, Linus
Commentary on errors in an earlier article on the nature of the chemical bond.
Pauling, Linus J. Chem. Educ. 1992, 69, 519.
Covalent Bonding |
Quantum Chemistry |
Atomic Properties / Structure |
Molecular Properties / Structure
The correct interpretation of Hund's rule as applied to "uncoupled states" orbital diagrams  Campbell, Mark L.
The application of Hund's rule by general chemistry students is appropriate as long as Hund's rule is interpreted correctly.
Campbell, Mark L. J. Chem. Educ. 1991, 68, 134.
Atomic Properties / Structure |
Quantum Chemistry
There are no such things as orbitals-Act two!  Simons, Jack
What is the role of molecular orbital theory in chemistry instruction?
Simons, Jack J. Chem. Educ. 1991, 68, 131.
MO Theory |
Atomic Properties / Structure |
Quantum Chemistry
The nature of the chemical bond--1990: There are no such things as orbitals!  Ogilivie, J. F.
The author discusses the fundamental principles of quantum mechanics, the laws and theories, and the relationship of quantum-mechanics to atomic and molecular structure, as well as their relevance to chemical education.
Ogilivie, J. F. J. Chem. Educ. 1990, 67, 280.
Quantum Chemistry |
Atomic Properties / Structure |
Molecular Properties / Structure
The theoretical emperor is wearing the proper clothing! A detailed defense of teaching quantum chemical ideas in undergraduate chemistry courses   Edmiston, Clyde K.
The author of this provocative opinion piece defends current standard practice in teaching quantum chemistry.
Edmiston, Clyde K. J. Chem. Educ. 1988, 65, 219.
Quantum Chemistry
Presenting the Bohr atom  Haendler, Blanca L.
A more significant consideration of the role of the Bohr theory in the development of quantum mechanics would have many benefits for introductory and advanced chemistry classes.
Haendler, Blanca L. J. Chem. Educ. 1982, 59, 372.
Atomic Properties / Structure |
Quantum Chemistry
Developing models: What is the atom really like?  Records, Roger M.
Using physical and computer models to illustrate historical changes in our view of the atom.
Records, Roger M. J. Chem. Educ. 1982, 59, 307.
Atomic Properties / Structure |
Quantum Chemistry
The spectrum of atomic lithium. An undergraduate laboratory experiment  Miller, Kenneth J.
The author gives a background on the theory and experimental procedure for the spectrum of atomic lithium.
Miller, Kenneth J. J. Chem. Educ. 1974, 51, 805.
Quantum Chemistry |
Spectroscopy |
Quantitative Analysis |
UV-Vis Spectroscopy |
Atomic Properties / Structure
Quantum mechanics in a course required of all freshmen  Barnes, Donald G.
The author describes a new courses which provides a common introductory experience for student who will eventually major in science and those who will not.
Barnes, Donald G. J. Chem. Educ. 1974, 51, 396.
Quantum Chemistry
Line spectrum demonstration for the large lecture hall  Driscoll, Jerry A.
The undergraduate's learning experience with quantum mechanics and Bohr's theory can be greatly enhanced by the presentation of a line spectrum demonstration, but these are often hard to see in large lecture halls. The authors present a physical arrangement of an apparatus that can be easily assembled to allow for easier student viewing in a lecture-hall situation.
Driscoll, Jerry A. J. Chem. Educ. 1974, 51, 97.
Atomic Properties / Structure |
Quantum Chemistry |
Spectroscopy
Heat capacity and the equipartition theorem  Dence, Joseph B.
Describes the classical equipartition theorem, its modifications due to quantum mechanics, and its application to some substances.
Dence, Joseph B. J. Chem. Educ. 1972, 49, 798.
Quantum Chemistry
Mathematics for scientists. Mathematical methods in the physical sciences. Mathematics for quantum chemistry (Bak, Thor A.; Lichtenberg, Jonas; Boas, Mary L.; Anderson, Jay Martin)  Moore, Walter J.

Moore, Walter J. J. Chem. Educ. 1967, 44, 246.
Mathematics / Symbolic Mathematics |
Quantum Chemistry |
Enrichment / Review Materials
Concepts of species and state in chemistry and molecular physics  Goodfriend, P. L.
This article examines the concepts of species and state in chemistry and molecular physics.
Goodfriend, P. L. J. Chem. Educ. 1966, 43, 95.
Quantum Chemistry |
Diastereomers |
Molecular Properties / Structure
A molecular spectral corroboration of elementary operator quantum mechanics  Gerkin, Roger E.
This experiment has been prepared especially for first year students and assumed no prior familiarity with either theory or practice of spectrophotometry.
Gerkin, Roger E. J. Chem. Educ. 1965, 42, 490.
Quantum Chemistry |
Spectroscopy
Behavior of electrons in atoms: Structure, spectra, and photochemistry of atoms (Hochstrasser, Robin M.)  Gregory, N. W.

Gregory, N. W. J. Chem. Educ. 1965, 42, 62.
Atomic Properties / Structure |
Photochemistry |
Spectroscopy |
Quantum Chemistry
The language of quantum mechanics  Maybury, Robert H.
Presents background material for teaching students important concepts regarding quantum mechanics that forms the basis of much of chemistry.
Maybury, Robert H. J. Chem. Educ. 1962, 39, 367.
Quantum Chemistry