Causality, Mathematics, Models, Theoretical Chemistry

All you wanted to know about Hybrid Orbitals…

August 10, 2017 — 10 Comments

History of science, Literature, Mathematics, Models, Quantum Mechanics, Scandal, Theoretical Chemistry

No, seriously, why can’t orbitals be observed?

July 26, 2017 — 5 Comments

Humor, Theoretical Chemistry

#CompChem – Can Orbitals Be Directly Observed?

July 17, 2017 — 7 Comments

Computational Chemistry, Mathematics, Theoretical Chemistry, Uncategorized

Dealing with Spin Contamination

June 20, 2017 — 6 Comments

Articles, Computational Chemistry, DNA, Journals, Molecular Dynamics, Paper, PCCP, Research, Theoretical Chemistry

Stability of Unnatural DNA – @PCCP #CompChem

April 19, 2017 — 1 Comment

Articles, Blogging, Computational Chemistry, Internet, Literature, Publications, Theoretical Chemistry

I’m putting a new blog out there

March 29, 2017 — 4 Comments

Computational Chemistry, DFT, Gaussian, Theoretical Chemistry, White papers

Grimme’s Dispersion DFT-D3 in Gaussian #CompChem

March 8, 2017 — 8 Comments

Computational Chemistry, PCCP, Reaction Mechanisms, RSC, Theoretical Chemistry, Uncategorized

New paper in PCCP: CCl3 reduced to CH3 through σ-holes #CompChem

September 21, 2016 — 1 Comment

Alumni, Articles, Chemistry, Computational Chemistry, Paper, Theoretical Chemistry

New paper in Tetrahedron #CompChem “Why U don’t React?”

June 15, 2016 — 3 Comments

Computational Chemistry, Gaussian, Models, Theoretical Chemistry, Tricks, White papers

The “art” of finding Transition States Part 2

May 31, 2016 — 4 Comments