NSF PAR Search | NSF Public Access Repository

Note: When clicking on a Digital Object Identifier (DOI) number, you will be taken to an external site maintained by the publisher. Some full text articles may not yet be available without a charge during the embargo (administrative interval).
What is a DOI Number?

Some links on this page may take you to non-federal websites. Their policies may differ from this site.

Implementing reactivity in molecular dynamics simulations with harmonic force fields

https://doi.org/10.1038/s41467-024-50793-0

Winetrout, Jordan_J; Kanhaiya, Krishan; Kemppainen, Joshua; in_‘t_Veld, Pieter_J; Sachdeva, Geeta; Pandey, Ravindra; Damirchi, Behzad; van_Duin, Adri; Odegard, Gregory_M; Heinz, Hendrik (September 2024, Nature Communications)
Salicylhydroxamic Acid as a Novel Switchable Adhesive Molecule

https://doi.org/10.1021/acs.chemmater.3c00508

Wang, Kan; Patra, Lokanath; Liu, Bo; Zhang, Zhongtian; Pandey, Ravindra; Lee, Bruce P. (July 2023, Chemistry of Materials)

Full Text Available
Using Heterodyne-Detected Electronic Sum Frequency Generation To Probe the Electronic Structure of Buried Interfaces

https://doi.org/10.1021/acs.jpcc.7b05514

Moon, Aaron P.; Pandey, Ravindra; Bender, Jon A.; Cotton, Daniel E.; Renard, Benny A.; Roberts, Sean T. (August 2017, The Journal of Physical Chemistry C)

Full Text Available
Ice-binding site of surface-bound type III antifreeze protein partially decoupled from water

https://doi.org/10.1039/C8CP03382J

Verreault, Dominique; Alamdari, Sarah; Roeters, Steven J.; Pandey, Ravindra; Pfaendtner, Jim; Weidner, Tobias (January 2018, Physical Chemistry Chemical Physics)

Combined SFG/MD analysis together with spectral calculations revealed that type III antifreeze proteins adsorbed at the air–water interface maintains a native state and adopts an orientation that leads to a partial decoupling of its ice-binding site from water.
more » « less

Search for: All records