Electrostatic control of regioselectivity in Au (I)-catalyzed hydroarylation VM Lau, WC Pfalzgraff, TE Markland, MW Kanan Journal of the American Chemical Society 139 (11), 4035-4041, 2017 | 84 | 2017 |
Scanning electron microscopy and molecular dynamics of surfaces of growing and ablating hexagonal ice crystals WC Pfalzgraff, RM Hulscher, SP Neshyba Atmospheric Chemistry and Physics 10 (6), 2927-2935, 2010 | 71 | 2010 |
Unraveling the dynamics and structure of functionalized self-assembled monolayers on gold using 2D IR spectroscopy and MD simulations C Yan, R Yuan, WC Pfalzgraff, J Nishida, L Wang, TE Markland, MD Fayer Proceedings of the National Academy of Sciences 113 (18), 4929-4934, 2016 | 54 | 2016 |
Efficient construction of generalized master equation memory kernels for multi-state systems from nonadiabatic quantum-classical dynamics WC Pfalzgraff, A Montoya-Castillo, A Kelly, TE Markland The Journal of Chemical Physics 150 (24), 2019 | 53 | 2019 |
Nonadiabatic dynamics in atomistic environments: harnessing quantum-classical theory with generalized quantum master equations WC Pfalzgraff, A Kelly, TE Markland The journal of physical chemistry letters 6 (23), 4743-4748, 2015 | 49 | 2015 |
Arrhenius analysis of anisotropic surface self-diffusion on the prismatic facet of ice I Gladich, W Pfalzgraff, O Maršálek, P Jungwirth, M Roeselová, ... Physical Chemistry Chemical Physics 13 (44), 19960-19969, 2011 | 38 | 2011 |
Comparative molecular dynamics study of vapor-exposed basal, prismatic, and pyramidal surfaces of ice W Pfalzgraff, S Neshyba, M Roeselova The Journal of Physical Chemistry A 115 (23), 6184-6193, 2011 | 34 | 2011 |
Integrating polar research into undergraduate curricula using computational guided inquiry PM Rowe, L Fortmann, TL Guasco, A Wright, A Ryken, E Sevier, G Stokes, ... Journal of Geoscience Education 69 (2), 178-191, 2021 | 8 | 2021 |
Determination of mobility and diffusion coefficients of Ar+ and Ar2+ ions in argon gas J Dashdorj, WC Pfalzgraff, A Trout, D Fingerlow, M Cordier, LA Viehland International Journal for Ion Mobility Spectrometry 23, 143-151, 2020 | 7 | 2020 |