Browsing by Author "Dannenberg, J. J."

Browsing by Author "Dannenberg, J. J."

Now showing items 1-3 of 3

How does basis set superposition error change the potential surfaces for hydrogen-bonded dimers?

1996 Article

Simon i Rabasseda, Sílvia Duran i Portas, Miquel Dannenberg, J. J.

C-H···O H-bonded complexes: how does basis set superposition error change their potential-energy surfaces?

2000 Article

Salvador Sedano, Pedro Simon i Rabasseda, Sílvia Duran i Portas, Miquel Dannenberg, J. J.

J-coupling constants for a trialanine peptide as a function of dihedral angles calculated by density functional theory over the full Ramachandran space

2011-10-21 Article

Salvador Sedano, Pedro Tsai, I. Hsien Dannenberg, J. J.

Now showing items 1-3 of 3