Exploring Chemistry 3rd edition

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latest updates & news

  • Conformational Searching with CONFLEX
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  • Locating the Energy in CASSCF Output
  • Updated Results Table for Exercise 4.14
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random molecules

  • thiirane
    thiirane
  • benzocaine
    benzocaine
  • permanganate
    permanganate
  • ethyl chloride
    ethyl chloride
  • azulene
    azulene
Approximations

Approximations

Posted by waldo on 16 Nov 2015

Wide Range of Elements

Wide Range of Elements

Posted by aeleen on 16 Nov 2015

Excited States

Excited States

Posted by waldo on 17 Nov 2015

PES Scan: Changing Spin State

PES Scan: Changing Spin State

Posted by waldo on 16 Nov 2015

Conical Intersections

Conical Intersections

Posted by waldo on 17 Nov 2015

Theoretical Background

Theoretical Background

Posted by waldo on 16 Nov 2015

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3D Volumetric Results

17 Nov 2015 by aeleen

3D Volumetric Results

Visualize property differences as surfaces.

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Franck-Condon Analysis

17 Nov 2015 by waldo

Franck-Condon Analysis

Model fluorescence & emission.

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Chem. in Interstellar Space

16 Nov 2015 by waldo

Chem. in Interstellar Space

Spectroscopy aids in interpreting astronomical objects.

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PDB Structures & ONIOM

16 Nov 2015 by waldo

PDB Structures & ONIOM

Detailed tutorial on creating Gaussian input from PDB files.

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