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Review of Hybrid RHF/MP2 geometry optimizations with the effective fragment molecular orbital method - http://proteinsandwavefunction...
U Copengagen PhD course: Biostructures and Molecular Modelling in Drug Research - http://proteinsandwavefunction...
Chemical Calculators and homework problems - http://molecularmodelingbasics...
2013 Nobel Prize Lectures in Chemistry - http://molecularmodelingbasics...
Computational Chemistry Highlights: November issue - http://molecularmodelingbasics...
Taking my thermodynamics course online - http://proteinsandwavefunction...
PhD Position in Computational Chemistry at the University of Southern Denmark - http://proteinsandwavefunction...
Computational Chemistry Highlights: October issue - http://molecularmodelingbasics...
PhD position in molecular modeling at University of Copenhagen - http://proteinsandwavefunction...
Chemistry assignments that use Molecule Calculator (MolCalc) - http://molecularmodelingbasics...
Chemistry assignments that use Molecule Calculator (MolCalc)
Computational Chemistry Course - Exploring a PES - http://proteinsandwavefunction...
Computational Chemistry Course - Exploring a PES
Computational Chemistry Highlights: September issue - http://molecularmodelingbasics...
Online presentations: Intro to qualitative MO theory and Computational Organometallic Chemistry - http://molecularmodelingbasics...
Computational Chemistry Highlights: August issue - http://molecularmodelingbasics...
The Polarity and Solvation option in MolCalc - http://molecularmodelingbasics...
Protein structure determination and refinement using QM-derived chemical shifts: my talk at the ISTCP8 - http://proteinsandwavefunction...
Review of Protein structure validation and refinement using amide proton chemical shifts derived from quantum mechanics - http://proteinsandwavefunction...
The end of a saga: "In silico screening of 393 mutants facilitates enzyme engineering of amidase activity in CalB" accepted in PeerJ - http://proteinsandwavefunction...
Computational Chemistry Highlights: July issue - http://molecularmodelingbasics...
Martin's latest paper is 'Featured Article' on PeerJ - http://proteinsandwavefunction...
Martin's latest paper is 'Featured Article' on PeerJ
Commercial reuse of published scientific papers: It's all about reuse - http://proteinsandwavefunction...
A python program for reading coordinates and gradients from a GAMESS output file - http://molecularmodelingbasics...
Excellent advice on teaching from Carl Wieman - http://proteinsandwavefunction...
Illustrating energy minimization: a simple python program - http://molecularmodelingbasics...
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