Computational Chemistry, Internet, Twitter, Uncategorized

Some Comp.Chem. Tweeps

June 28, 2017 — 1 Comment

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

Articles, Computational Chemistry, DNA, Molecular Dynamics, Paper, PCCP, RSC

Unnatural DNA and Synthetic Biology

March 28, 2017 — 0 Comments

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

Grimme’s Dispersion DFT-D3 in Gaussian #CompChem

March 8, 2017 — 8 Comments

calixarenes, Computational Chemistry, Photosysnthesis, Proteins, RMFQT, Talks, Theoretical Chemistry

Mexican Phys.Chem. Meeting XVth edition 

November 21, 2016 — 0 Comments

ACS, Articles, Collaborations, Computational Chemistry

Tribology – New paper in JPC A

November 16, 2016 — 2 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

Computational Chemistry, Gaussian, Tricks, White papers

Quick note on WFN(X) files and MP2 calculations #G09 #CompChem

June 28, 2016 — 5 Comments