ACS, Articles, calixarenes, Computational Chemistry, DFT, JACS, NBO, Paper, Research

New paper in JACS

July 10, 2014 — 8 Comments

calixarenes, Computational Chemistry, CTC, DFT, Drug Delivery, Interns, Molecular Dynamics, NBO, Paper

New paper in Computational and Theoretical Chemistry

March 13, 2014 — 1 Comment

ACS, Articles, Computational Chemistry, DFT, Drug Delivery, JCTC, Molecular Dynamics, NBO, Paper, Theoretical Chemistry

New paper in Journal of Chemical Theory and Computation

January 9, 2014 — 13 Comments

Alumni, Computational Chemistry, NBO, Teaching, Thesis

First graduated student!

May 30, 2013 — 4 Comments

Computational Chemistry, Models, NBO, NBO, Software, Theoretical Chemistry, Visualization, White papers

Natural Bond Orbitals (NBO) Visualization with Chemcraft

March 6, 2013 — 16 Comments

Chemistry, Computational Chemistry, NBO, Paper, Research, Science, Theoretical Chemistry

Paper published in Canadian Journal of Chemistry

May 2, 2012 — 2 Comments

Computational Chemistry, Gaussian, NBO, White papers

Natural Bond Orbitals Deletion analysis (NBODel) in Gaussian03 & Gaussian09

June 21, 2011 — 15 Comments

Computational Chemistry, Gaussian, NBO, White papers

Analyzing Natural Bond Orbitals (NBO) results from Gaussian ’03 & ’09

November 11, 2009 — 94 Comments

Computational Chemistry, Gaussian, NBO, White papers

Natural Bond Orbitals (NBO) visualization

September 24, 2009 — 154 Comments