Ajitha Devarajan

Two-component relativistic density functional method for computing nonsingular complex linear response of molecules based on the zeroth order regular approximation.

Alexander Gaenko, Jochen Autschbach, Alexander Gaenko, 2009, The Journal of chemical physics.

A coarse-grained model for β-d-glucose based on force matching

Mark S. Gordon, Theresa L. Windus, Yana Kholod, 2012, Theoretical Chemistry Accounts.

Ab initio study of molecular interactions in cellulose Iα.

Xiaolin Cheng, Mark S Gordon, Theresa L Windus, 2013, The journal of physical chemistry. B.

Ab initio DFT study of Z–E isomerization pathways of N–benzylideneaniline

Roland Lindh, Giorgio Orlandi, Laura Gagliardi, 2007 .

Role of Electronic Curve Crossing of Benzene S-1 State in the Photodissociation of Aryl Halides, Effect of Fluorination: RASSI-SO MS-CASPT2 Study

Roland Lindh, Per-Åke Malmqvist, P. Malmqvist, 2009 .

Evaluation of coarse-grained mapping schemes for polysaccharide chains in cellulose.

Mark S Gordon, Theresa L Windus, Monica H Lamm, 2013, The Journal of chemical physics.