Shelby Straight
Shelby Straight
Graduate Student Researcher, University of California-San Diego
Verified email at ucsd.edu
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On the accuracy of the MB-pol many-body potential for water: Interaction energies, vibrational frequencies, and classical thermodynamic and dynamical properties from clusters …
SK Reddy, SC Straight, P Bajaj, C Huy Pham, M Riera, DR Moberg, ...
The Journal of chemical physics 145 (19), 194504, 2016
1352016
Temperature-dependent vibrational spectra and structure of liquid water from classical and quantum simulations with the MB-pol potential energy function
SK Reddy, DR Moberg, SC Straight, F Paesani
The Journal of chemical physics 147 (24), 244504, 2017
542017
Molecular Origin of the Vibrational Structure of Ice Ih
DR Moberg, SC Straight, C Knight, F Paesani
The journal of physical chemistry letters 8 (12), 2579-2583, 2017
482017
Temperature dependence of the air/water interface revealed by polarization sensitive sum-frequency generation spectroscopy
DR Moberg, SC Straight, F Paesani
The Journal of Physical Chemistry B 122 (15), 4356-4365, 2018
282018
Exploring electrostatic effects on the hydrogen bond network of liquid water through many-body molecular dynamics
SC Straight, F Paesani
The Journal of Physical Chemistry B 120 (33), 8539-8546, 2016
272016
Troponins, intrinsic disorder, and cardiomyopathy
I Na, MJ Kong, S Straight, JR Pinto, VN Uversky
Biological chemistry 397 (8), 731-751, 2016
162016
Many-body potential energy surfaces with chemical and spectroscopic accuracy
F Paesani, P Bajaj, M Riera, S Straight
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 252, 2016
2016
Exploring the inhomogeneity of the hydrogen bond network in liquid water through many-body molecular dynamics
S Straight, F Paesani
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 251, 2016
2016
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