ICON-EDiT

An Extended Hueckel Molecular Orbital and Oscillator Strength Calculation Package

Copyright © 2000, by G. Calzaferri

The programs are free software; you can redistribute and/or modify them under the terms of the GNU General Public License as published by the Free Software Foundation (version 2 of the license).

ICON-EDiT Version '97

PROGRAM	NT-bin.zip	An updated 32-bit version of the program package is available in binary form. It requires Windows NT 4.0. Note that the program also runs under Win95, Win98, WinMe, Win2000, WinXP.
ADDITIONAL PROGRAMS	q-tools.zip	Advanced users may be interested in q-tools
SOURCES	sources.zip sources.tar.gz	The sources of INPUTC, ICONC, EDiT and GOP are available.
EXAMPLES	examples.zip examples.tar.gz	For comparison you may want to download a few examples.
SHORT MANUAL	ie_manual.html	If you need more information about ICON-EDiT, please take a look at the short manual.
Manual	manual.pdf manual.zip (ps)	You can download a detailed and updated manual.
Suggestions concerning this site or the program package may be mailed to us.	Gion Calzaferri

ICON-EDiT Version 2000

NEW FEATURES	Modified Charge Iteration, easier use of the EDiT program
PROGRAM	NT-bin2000.zip	An updated 32-bit version of the program package is available in binary form. It requires Windows NT 4.0. Note that the program also runs under Win95, Win98, WinMe, Win2000, WinXP.
PROGRAM for large Systems (max. 500 atoms)	IE2000_large.zip	An updated 32-bit version of the program package is available in binary form. It requires Windows NT 4.0. Note that the program also runs under Win95, Win98, WinMe, Win2000, WinXP.
SOURCES	Not yet available	The sources are not yet available.
EXAMPLES	examples2000.zip	For comparison you may want to download a few examples.
SHORT MANUAL	ie_manual2000.html	If you need more information about ICON-EDiT, please take a look at the short manual.
Manual	manual2000.pdf manual2000.zip (ps)	You can download a detailed and updated manual.
Suggestions	Gion Calzaferri	Suggestions concerning this site or the program package may be mailed to us.

References

• Gion Calzaferri, Claudia Leiggener, Stephan Glaus, David Schuerch, Ken’ichi Kuge
  The electronic structure of Cu+, Ag+, and Au+ zeolites
  Chem. Soc, Reviews 2003, 32, 29-37 (full-text pdf)

• Stephan Glaus, Gion Calzaferri, Roald Hoffmann
  Electronic Properties of Silver-Silver Chloride Cluster Interfaces
  Chemistry - A European Journal 2002, 8, 1785 - 1794 (full-text pdf)

• Silke Megelski, Andreas Lieb, Marc Pauchard, Andreas Drechsler, Stephan Glaus, Christina Debus, Alfred J. Meixner and Gion Calzaferri
  Orientation of Fluorescent Dyes in the Nano Channels of Zeolite L
  J. Phys. Chem. B 2001, 105, 25-35 (full text-pdf)

• Roland Seifert, Ruedi Rytz, and Gion Calzaferri
  Colors of Ag⁺-Exchanged Zeolite A
  J. Phys. Chem. A 2000, 104, 7473-7483 (abstract) (full-text pdf)

• Stephan Glaus and Gion Calzaferri
  Silver Chloride Clusters and Surface States
  J. Phys. Chem. B 1999, 103, 5622-5630 (abstract) (full-text pdf)

• Dominik Brühwiler, Niklaus Gfeller and Gion Calzaferri
  Resorufin in the Channels of Zeolite L
  J. Phys. Chem. B 1998, 102, 2923-2929 (abstract) (full-text pdf)

• Roland Seifert, Andreas Kunzmann and Gion Calzaferri
  The yellow colour of silver-containing zeolite A
  Angew. Chemie 1998, 110, 1603-1606 (abstract) (full-text pdf)

• Ruedi Rytz and Gion Calzaferri
  Electronic Transition Oscillator Strengths in Solids: An Extended Hückel Tight-Binding Approach
  J. Phys. Chem. B 1997, 101, 5664-5674 (full-text pdf)

• Gion Calzaferri and Ruedi Rytz
  The Band Structure of Diamond
  J. Phys. Chem. 1996, 100, 11122-11124 (full-text pdf)

• Martin Brändle, Gion Calzaferri and Martin Lanz
  Size Quantization and Surface States of Molybdenum Sulfide Clusters: A Molecular Orbital Approach
  Chemical Physics 1995, 201, 141-150 (full-text pdf)
  

• Gion Calzaferri and Claudia Marcolli
  Molecular Geometries by the Extended-Hückel Molecular Orbital Method: A Comment
  J. Phys. Chem. 1995, 99, 3895-3897 (full-text pdf)

• Gion Calzaferri and Ruedi Rytz
  Electronic Transition Oscillator Strength by the Extended-Hückel Molecular Orbital Method
  J. Phys. Chem. 1995, 99, 12141-12150 (full-text pdf)

• Martin Brändle and Gion Calzaferri
  Molecular Geometries by the Extended-Hückel Molecular Orbital Method II:
  Hydrocarbons and Organic Molecules containing O, N and S
  Helv. Chim. Acta 1993, 76, 924-951

• Martin Brändle and Gion Calzaferri
  Molecular Geometries by the Extended-Hückel Molecular Orbital Method III:
  Band-Structure Calculations
  Helv. Chim. Acta 1993, 76, 2350-2355 (full-text pdf)

• Silvano Bergamasco, Gion Calzaferri, and Konrad Hädener
  First Excited States of p-(N,N-Dimethylamino)benzonitrile: A Simple Description of
  the Twisted Intramolecular Charge Transfer State
  J. Photochem. and Photobiol. A: Chem. 1992, 66, 327-331

• Edmond Amouyal, Mona Mouallem-Bahout, and Gion Calzaferri
  Excited States of M(II,d⁶)-4-Phenyl-Terpyridine Complexes; Electron Localization
  J. Phys. Chem. 1991, 95, 7641-7649 (full-text pdf)

• Gion Calzaferri and Roald Hoffmann
  The Symmetrical Octasilasesquioxanes X₈Si₈O₁₂: Electronic Structure and Reactivity
  J. Chem. Soc. Dalton Trans. 1991, 917-928 (full-text pdf)

• Gion Calzaferri, Lars Forss, and Ivo Kamber
  Molecular Geometries by the Extended Hückel Molecular Orbital Method
  J. Phys. Chem. 1989, 93, 5366-5371 (full-text pdf)

• Gion Calzaferri
  The Instability of H₃
  Chem. Phys. Lett. 1982, 87, 443-446 (full-text pdf)