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Huckel Determinant Solver

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Robert M. Hanson

Department of Chemistry, St. Olaf College, Northfield, MN 55057

J. Chem. Educ., 2002, 79 (11), p 1379

DOI: 10.1021/ed079p1379.2

Publication Date (Web): November 1, 2002

Abstract

Generates an energy diagram for simple Huckel molecular orbital systems.

Keywords (Audience):

Upper-Division Undergraduate

Keywords (Domain):

Physical Chemistry

Keywords (Feature):

JCE WebWare

Keywords (Pedagogy):

Internet / Web-Based Learning

Keywords (Subject):

MO Theory

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Citing Articles

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This article has been cited by 2 ACS Journal articles (2 most recent appear below).

Getting the Weights of Lewis Structures out of Hückel Theory: Hückel–Lewis Configuration Interaction (HL-CI)
Stéphane Humbel
Journal of Chemical Education2007 84 (6), 1056
- Getting the Weights of Lewis Structures out of Hückel Theory: Hückel–Lewis Configuration Interaction (HL-CI)
  Stéphane Humbel
  Journal of Chemical Education2007 84 (6), 1056
  A method to obtain the weights of Lewis structures from Hückel calculations is presented and tested against established ab initio methods. In this article we make use of the fact that the solution of the Schrödinger equation can be written in any base. ...
  Abstract | Hi-Res PDF | PDF w/ Links
The Finkelstein Reaction: Quantitative Reaction Kinetics of an SN2 Reaction Using Nonaqueous Conductivity
R. David Pace and Yagya Regmi
Journal of Chemical Education2006 83 (9), 1344
- The Finkelstein Reaction: Quantitative Reaction Kinetics of an SN2 Reaction Using Nonaqueous Conductivity
  R. David Pace and Yagya Regmi
  Journal of Chemical Education2006 83 (9), 1344
  Two essential concepts for students to grasp in the undergraduate organic chemistry sequence are substitution chemistry and elimination chemistry (SN1/SN2 and E1/E2). However, students are often confounded by the seemingly endless series of structure–...
  Abstract | Hi-Res PDF | PDF w/ Links