update the experiment each year by replacing questions older than eight years with ones from the current year. This also protects the magazines from overuse. After an introduction to the library and a discussion of the "experiment," students work individually on their "experiment" during the rest of the laboratory. A chemistry instructor answers questions and guides students, thus also assisting the library staff. The "exp&ment" has seven parts:
program with accompanying documentation and answers for all the questions is available for $3.00, or a cassette tape with corresponding answers and documentation is available for $10.00. An exchanee of chemistrv and environmental science programs is also disired by the author.
Part A: For the indicated question, students are asked to write a
complete bibliography. They are told that they will find all books in the card catalog.There are twenty-fivequestions; a student answers only one. For example, the following questions might be given: (1) To study the principles of polymer chemistry, one should select whnt hook? (21 If vuu ore interested in learning nhout some the chemistry of rhe Manhattan l'rojrct, to whnt hook will you turn" ~~~~
Computer Programs for Introductory Quantum Chemistry Bhatrav D. Josh1 State University College at Geneseo Geneseo. NY 14454
~~
Port B: Using the "Reader's Guide to Periodical Literature" or a
December index, the students are asked to write the complete literature reference for the following articles: (1) Grinstead, R. R., "Bottlenecks." (2) Flath, P. C. and R. Uhorehak, "VersusNersus-A Lab Students Don't -.~ . - -D~end.'' ~ ---There are 57 questions in this section; a student is assigned two. (Use Sciquest, Scientific American, Enuironment, or THIS ~
Part C and Part D: Both of these parts involve the four journals
previously indicated. A description of the article is given and students start with kevwords tosearch for the article. Part C has 44auestions from ~ciouebt.Scientific American or Enuironment. A &dent anmight be given: (1) A 1973article discusses the problems of removing CO from auto exhaust. Has success been achieved in this project? Cite the article. (2) Cite a 1977 article by an author from one of our sister two-year colleges in northern New York on planning a hazardous materials course for local firemen. Name the author's college affiliation. Port E: From a list of twenty-five terms, a student is asked to define
one term and give the complete reference. The answer will he found in one of many reference works available in the library. The following are terms that might be used: (1) Define Sulliuon's Test. (2) Define smoltite. Port F: Fnm a list of twrnry-re\.rn quesriona a ~tudentmust search t h o "Handhook of Chemirtry and Physics" for the answer tu hi* assigned quesuon. For example,he might he asked the Idlowing qurs-
tions: (1) Which is denser-water
or 4-methyl-2-pentanone? (2) How many BTU's in an erg?
Port G: Similarly, Part Grequirea a student to search the "Handbook" for the answers to one of four different tvnes of ouestiaus. For ex-
..
ample, the following questions might he given: (1) The solubilityof 1-alanineis -grams1100 grams of water at 25%. (2) Constants for babassu oil are specific gravity -iodine value saponification number melting point T h e "exoeriment" has been accepted and enioved bv the majority oE students over the past tkn years. ~ o scomment t about finding new (to them) ways of searching the literature. The largest problem for me has been the mechanics of making sure each student receives a different set of questions. This year I put all of the questions into one computer program and then printed sixty lists of randomly selected questions. With my printer I have hard copy, but it could be done with a CRT if no printer were available and the question' numbers copied onto a pretyped form. The program is written in BASIC, specifically for a Model I, Level 11, 16K TRS-801 microcomputer. A listing of the
' TRS-80 is a trademark of the Tandy Corporation.
James E. Ellers State University College at Brockport Brockport, NY 14420 For the past two years we have been involved in the development of a set of comouter oroerams in auantum chemistrv. The purpose of this prbject & tocreate a facility that will free the student from time-consuminamathematics so that he can concentrate on concepts, pri&iples, and techniques of quantum chemistrv. T h e set of computer programs we have developed generates data, solves equkions, graphs solutions, and asks leading questions. I t also includes numerous lessons and drills on qu-&tum chemistry concepts and mathematical methods used in the study of quantum chemistry (16). The ouantum chemistrv- nroerams oackaae is beine de. signed for real time operation from interactive computer terminals by students with no required programming skills. T h e programs themselves are written either in interactive FORTRAN to run on PRIME 400, or in APL to run on ITEL AS16 under OSIVS1. The package contains service routines, limited task routines, teaching routines. drill-practice routines, and monitor and control [outines. 1n able 1we present an alphabetical listing of all programs developed and tested thus far. The following abbreviations are used in Table 1: RR for "rigid rotor," P I B for "particle in a box," and SHO for "simple harmonic oscillator." Listings of the programs will be made available to interested readers for a $5.00 fee to cover duplication and mailing charges. Please contact B. D. Joshi. This work is suooorted. in part. bv grants from the State Cniversity of ~ e w i ' o r k~ & r c h kida at ion: # 125-1006A, it 12WWtiH. It 1%-JW8A. and it 125-4WXH.Ihanks are due 1)r. I.w'l'.lksant ot'the (;en&(, (.ornputing Center tor his continu(rui and enthuiiaitic iupuort of this work. B. D. doshi is grateful to Barbara Joshi fo; h e r encouragement and unflagging support.
Extended Hiickel M.O. Calculations for Classroom Demonstration John P. Cheslck Haverford College, Haverford, PA 19041 Molecular orbital theory in various forms is the basis for discussions of bonding and structure in manv chemistrv courses. Simple ~ i i c k e l i h e oisr ~used for discussions of plan& pi-electron svstems, with modifications oermittine discussion bf the effects of hetero (noncarbon) atoms on thepi-electron molecular orbitals, energies, and pi-electron charge densities. McGrath. Kroeeer. " , and Dunn (17) have described a BASIC program package to explain the theory with a small computer Volume 59
Number 6
June 1982
517
