Center for Molecular Spectroscopy and Dynamics

Phenol-benzene complexation dynamics: Quantum chemistry calculation, molecular dynamics simulations, and two dimensional IR spectroscopy

K. Kwac, C. Lee, Y. Jung, J. Han, K. Kwak, J. Zheng, M. D. Fayer, M. Cho [J. Chem. Phys 125, 244508-(2006)]

Site-Specific Hydrogen-Bonding Interaction between N-Acetylproline Amide and Protic Solvent Molecules: Comparisons of IR and VCD Measurements with MD Simulations

K.-I. Oh, J. Han, K.-K. Lee, S. Hahn, H. Han, M. Cho [J. Phys. Chem. A 110, 13355-13365(2006)]

Vibrational spectroscopic characteristics of secondary structure polypeptides in liquid water: constrained MD simulation studies

J.-H. Choi, S. Hahn, M. Cho [Biopolymers 83, 519-536(2006)]

Two Dimensional Electronic Spectroscopy of Molecular Complexes

M. Cho, T. Brixner, I. Stiopkin, H. Vaswani, G. R. Fleming [J. Chin. Chem. Soc 53, 15-24(2006)]

Vibrational dynamics of DNA. III. Molecular dynamics simulations of DNA in water and theoretical calculations of the two-dimensional vibrational spectra

C. Lee, K.-H. Park, J.-A Kim, S. Hahn, M. Cho [J. Chem. Phys 125, 114510-(2006)]

Vibrational dynamics of DNA. II. Deuterium exchange effects and simulated IR absorption spectra

C. Lee, M. Cho [J. Chem. Phys 125, 114509-(2006)]

Vibrational dynamics of DNA. I. Vibrational basis modes and couplings

C. Lee, K.-H. Park, M. Cho [J. Chem. Phys 125, 114508-(2006)]

Structure of N-Acetylproline Amide in Liquid Water: Experimentally Measured and Numerically Simulated Infrared and Vibrational Circular Dichroism Spectra

K.-K. Lee, S. Hahn, K.-I. Oh, J. S. Choi, C. Joo, H. Lee, H. Han, M. Cho [J. Phys. Chem. B 110, 18834-18843(2006)]