| 1. | M. W. Lee; M. Meuwly Hydration Free Energies of Cyanide and Hydroxide Ions from Molecular Dynamics Simulations with Accurate Force Fields Journal Article In: PCCP, vol. 15, pp. 20303, 2013. @article{MM.lee.pccp:2013,
title = {Hydration Free Energies of Cyanide and Hydroxide Ions from Molecular Dynamics Simulations with Accurate Force Fields},
author = {M. W. Lee and M. Meuwly},
year = {2013},
date = {2013-01-01},
journal = {PCCP},
volume = {15},
pages = {20303},
keywords = {Cyanide, Force fields, Hydroxide, Molecular Dynamics},
pubstate = {published},
tppubtype = {article}
}
|
| 2. | M. W. Lee; J. K. Carr; M. Goellner; P. Hamm; M. Meuwly 2D IR Spectra of Cyanide in Water Investigated by Molecular Dynamics Simulations Journal Article In: J. Chem. Phys., vol. 139, pp. 054506, 2013. @article{MM.lee.jcp:2013,
title = {2D IR Spectra of Cyanide in Water Investigated by Molecular Dynamics Simulations},
author = {M. W. Lee and J. K. Carr and M. Goellner and P. Hamm and M. Meuwly},
year = {2013},
date = {2013-01-01},
journal = {J. Chem. Phys.},
volume = {139},
pages = {054506},
keywords = {2D IR, Cyanide, Molecular Dynamics},
pubstate = {published},
tppubtype = {article}
}
|
| 3. | M. W. Lee; M. Meuwly On the Role of Nonbonded Interactions in Vibrational Energy Relaxation of Cyanide in Water Journal Article In: J. Phys. Chem. A, vol. 115, pp. 5053, 2011. @article{MM.lee.jpca:2011,
title = {On the Role of Nonbonded Interactions in Vibrational Energy Relaxation of Cyanide in Water},
author = {M. W. Lee and M. Meuwly},
year = {2011},
date = {2011-01-01},
journal = {J. Phys. Chem. A},
volume = {115},
pages = {5053},
keywords = {Cyanide, Vibrational Energy Relaxation},
pubstate = {published},
tppubtype = {article}
}
|
