K. Suzie Byun

A new ONIOM implementation in Gaussian98. Part I. The calculation of energies, gradients, vibrational frequencies and electric field derivatives

Stefan Dapprich, István Komáromi, K. Suzie Byun et al. · Journal of Molecular Structure THEOCHEM · 1999 · 2.1K citations

Natural Sciences, Chemistry, Physics +8

Combining Quantum Mechanics Methods with Molecular Mechanics Methods in ONIOM

Thom Vreven, K. Suzie Byun, István Komáromi et al. · Journal of Chemical Theory and Computation · 2006 · 963 citations · Full text

Natural Sciences, Chemistry, Physics +14

Molecular Dynamics Simulations of the 136 Unique Tetranucleotide Sequences of DNA Oligonucleotides. I. Research Design and Results on d(CpG) Steps

David L. Beveridge, Gabriela Barreiro, K. Suzie Byun et al. · Biophysical Journal · 2004 · 272 citations · Full text

Natural Sciences, Biophysics, Molecular Biology +16

Theoretical Evidence for a Concerted Mechanism of the Oxirane Cleavage and A-Ring Formation in Oxidosqualene Cyclization

Daqing Gao, Yuh‐Kang Pan, K. Suzie Byun et al. · Journal of the American Chemical Society · 1998 · 47 citations

Natural Sciences, Chemistry, Inorganic Chemistry +6

Theoretical studies of protonated and non-protonated Schiff bases of retinal: ground state structures and energies of the all-trans, 13-cis, 11-cis, 9-cis, 6,7-cis, and 6-s-cis isomers

Robert D. J. Froese, István Komáromi, K. Suzie Byun et al. · Chemical Physics Letters · 1997 · 24 citations · Full text

Natural Sciences, Chemistry, Medicinal Chemistry +4