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Myung W. Lee, Ph.D. - Publications

Affiliations: 
2008 University of Pennsylvania, Philadelphia, PA, United States 
Area:
theoretical and computational approaches to study complex systems in materials science, condensed-matter physics, and physical chemistry
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27 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2014 Lee MW, Meuwly M. Diffusion of atomic oxygen relevant to water formation in amorphous interstellar ices. Faraday Discussions. 168: 205-22. PMID 25302381 DOI: 10.1039/C3Fd00160A  0.517
2014 Lee MW, Meuwly M. Diffusion of atomic oxygen relevant to water formation in amorphous interstellar ices Faraday Discussions. 168: 205-222. DOI: 10.1039/c3fd00160a  0.48
2013 Lee MW, Meuwly M. Hydration free energies of cyanide and hydroxide ions from molecular dynamics simulations with accurate force fields. Physical Chemistry Chemical Physics : Pccp. 15: 20303-12. PMID 24170171 DOI: 10.1039/C3Cp52713A  0.511
2013 Lee MW, Carr JK, Göllner M, Hamm P, Meuwly M. 2D IR spectra of cyanide in water investigated by molecular dynamics simulations. The Journal of Chemical Physics. 139: 054506. PMID 23927269 DOI: 10.1063/1.4815969  0.487
2013 Lee MW, Meuwly M. Hydration free energies of cyanide and hydroxide ions from molecular dynamics simulations with accurate force fields Physical Chemistry Chemical Physics. 15: 20303-20312. DOI: 10.1039/c3cp52713a  0.469
2012 Lee MW, Plattner N, Meuwly M. Structure, spectroscopy and dynamics of layered H2O and CO 2 ices Physical Chemistry Chemical Physics. 14: 15464-15474. PMID 23072896 DOI: 10.1039/C2Cp41904A  0.715
2012 Lee MW, Meuwly M. Molecular dynamics simulation of nitric oxide in myoglobin. The Journal of Physical Chemistry. B. 116: 4154-62. PMID 22420848 DOI: 10.1021/Jp212112F  0.488
2012 Lee MW, Meuwly M. Molecular dynamics simulation of nitric oxide in myoglobin Journal of Physical Chemistry B. 116: 4154-4162. DOI: 10.1021/jp212112f  0.43
2011 Cazade PA, Lutz S, Lee MW, Meuwly M. Computational spectroscopy and reaction dynamics Chimia. 65: 326-329. PMID 21744686 DOI: 10.2533/Chimia.2011.326  0.504
2011 Lee MW, Meuwly M. On the role of nonbonded interactions in vibrational energy relaxation of cyanide in water. The Journal of Physical Chemistry. A. 115: 5053-61. PMID 21542619 DOI: 10.1021/Jp202503M  0.513
2011 Srinivasan S, Lee MW, Grady MC, Soroush M, Rappe AM. Computational evidence for self-initiation in spontaneous high-temperature polymerization of methyl methacrylate. The Journal of Physical Chemistry. A. 115: 1125-32. PMID 21265525 DOI: 10.1021/Jp107704H  0.504
2011 Lee MW, Meuwly M. On the role of nonbonded interactions in vibrational energy relaxation of cyanide in water Journal of Physical Chemistry A. 115: 5053-5061. DOI: 10.1021/jp202503m  0.464
2010 Plattner N, Lee MW, Meuwly M. Structural and spectroscopic characterization of mixed planetary ices. Faraday Discussions. 147: 217-30; discussion 2. PMID 21302549 DOI: 10.1039/C003487H  0.715
2010 Srinivasan S, Lee MW, Grady MC, Soroush M, Rappe AM. Self-initiation mechanism in spontaneous thermal polymerization of ethyl and n-butyl acrylate: a theoretical study. The Journal of Physical Chemistry. A. 114: 7975-83. PMID 20666544 DOI: 10.1021/Jp102772V  0.503
2010 Plattner N, Lee MW, Meuwly M. Structural and spectroscopic characterization of mixed planetary ices Faraday Discussions. 147: 217-230. DOI: 10.1039/c003487h  0.683
2009 Srinivasan S, Lee MW, Grady MC, Soroush M, Rappe AM. Computational study of the self-initiation mechanism in thermal polymerization of methyl acrylate. The Journal of Physical Chemistry. A. 113: 10787-94. PMID 19791812 DOI: 10.1021/Jp904036K  0.499
2008 Srinivasan S, Lee MW, Grady MC, Soroush M, Rappe AM. High temperature self-initiation in ethyl acrylate polymerization. A computational study Aiche Annual Meeting, Conference Proceedings.  0.386
2008 Srinivasan S, Lee MW, Grady MC, Soroush M, Rappe AM. Mechanism of spontaneous initiation in high-temperature polymerization of N-butyl acrylate: A theoretical study Aiche Annual Meeting, Conference Proceedings.  0.398
2007 Lee MW, Levchenko SV, Rappe AM. Force calculation of polyatomic molecules in quantum Monte Carlo using Pulay's corrections Molecular Physics. 105: 2493-2497. DOI: 10.1080/00268970701537947  0.654
2007 Lee MW, Mella M, Rappe AM. Electronic quantum Monte Carlo calculations of energies and atomic forces for diatomic and polyatomic molecules Acs Symposium Series. 953: 69-79.  0.463
2005 Lee MW, Mella M, Rappe AM. Electronic quantum Monte Carlo calculations of atomic forces, vibrations, and anharmonicities. The Journal of Chemical Physics. 122: 244103. PMID 16035742 DOI: 10.1063/1.1924690  0.533
1980 Bigeleisen J, Ishida T, Lee MW. Correlation of the isotope chemistry of hydrogen, carbon, and oxygen with molecular forces by the WIMPER (2) method The Journal of Chemical Physics. 74: 1799-1816. DOI: 10.1063/1.441268  0.313
1979 Götz D, Lee MW, Bigeleisen J. 13C/12C and 18O/16O liquid-vapor isotopic fractionation factors in CO as a function of temperature The Journal of Chemical Physics. 70: 5731-5738. DOI: 10.1063/1.437400  0.32
1977 Bigeleisen J, Lee MW, Ishida T, Bigeleisen PE. Approximation of isotopic reduced partition function ratios by the WINIMAX polynomial perturbation method (WIMPER) The Journal of Chemical Physics. 68: 3501-3510. DOI: 10.1063/1.436259  0.307
1977 Lee MW, Bigeleisen J. Calculation of the mean force constants of the rare gases and the rectilinear law of mean force The Journal of Chemical Physics. 67: 5634-5638. DOI: 10.1063/1.434815  0.328
1975 Lee MW. Calculation of the lattice modes of the isotopic CO2 molecules and their reduced partition function ratios Journal of Chemical Physics. 62: 2094-2097. DOI: 10.1063/1.430773  0.342
1975 Bilkadi Z, Lee MW, Bigeleisen J. Phase equilibrium isotope effects in molecular solids and liquids. Vapor pressures of the isotopic carbon dioxide molecules The Journal of Chemical Physics. 2087-2093. DOI: 10.1063/1.430772  0.32
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