J. J. Dannenberg

A comparison of the behavior of functional/basis set combinations for hydrogen‐bonding in the water dimer with emphasis on basis set superposition error

Joshua A. Plumley, J. J. Dannenberg, J. Dannenberg, 2011, J. Comput. Chem..

The effect of polarization on multiple hydrogen‐bond formation in models of self‐assembling materials

J. J. Dannenberg, Yung-Fou Chen, J. Dannenberg, 2011, J. Comput. Chem..

Effect of Basis Set Superposition Error on the Water Dimer Surface Calculated at Hartree-Fock, Møller-Plesset, and Density Functional Theory Levels

J. J. Dannenberg, Miquel Duran, Sílvia Simon, 1999 .

Theoretical studies of radical recombination reactions. 1. Allyl and azaallyl radicals

J. J. Dannenberg, J. Dannenberg, K. Tanaka, 1985 .

Cooperative Hydrogen-Bonding in Adenine−Thymine and Guanine−Cytosine Base Pairs. Density Functional Theory and Møller−Plesset Molecular Orbital Study

J. J. Dannenberg, J. Dannenberg, Amparo Asensio, 2003 .

Enthalpies of Hydrogen-Bonds in α-Helical Peptides. An ONIOM DFT/AM1 Study

J. J. Dannenberg, Robert Wieczorek, R. Wieczorek, 2005 .

The importance of hydrogen bonding between the glutamine side chains to the formation of amyloid VQIVYK parallel beta-sheets: an ONIOM DFT/AM1 study.

Joshua A. Plumley, J. J. Dannenberg, J. Dannenberg, 2010, Journal of the American Chemical Society.

Molecular orbital calculations of water clusters on counterpoise-corrected potential energy surfaces

J. J. Dannenberg, Robert Wieczorek, R. Wieczorek, 2004 .

A Theoretical Study of the Endo/Exo Selectivity of the Diels−Alder Reaction between Cyclopropene and Butadiene

J. J. Dannenberg, Mariona Sodupe, M. Sodupe, 1997 .