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The Journal of Physical Chemistry. B|January 30, 2018
Water Lone Pair Delocalization in Classical and Quantum Descriptions of the Hydration of Model IonsRichard C Remsing, Timothy T Duignan, Marcel D Baer, et al.The Journal of Chemical Physics|July 3, 2017
Mass density fluctuations in quantum and classical descriptions of liquid waterMirza Galib, Timothy T Duignan, Yannick Misteli, et al.The Journal of Physical Chemistry. B|October 4, 2021
Role of Hydration in Magnesium versus Calcium Ion Pairing with Carboxylate: Solution and the Aqueous InterfaceMaria G Vazquez de Vasquez, Bethany A Wellen Rudd, Marcel D Baer, et al.The Journal of Physical Chemistry. B|June 22, 2011
Dissociation of strong acid revisited: X-ray photoelectron spectroscopy and molecular dynamics simulations of HNO3 in waterTanza Lewis, Bernd Winter, Abraham C Stern, et al.The Journal of Chemical Physics|October 7, 2011
Re-examining the properties of the aqueous vapor-liquid interface using dispersion corrected density functional theoryMarcel D Baer, Christopher J Mundy, Matthew J McGrath, et al.The Journal of Physical Chemistry Letters|August 22, 2015
Understanding the Origins of Dipolar Couplings and Correlated Motion in the Vibrational Spectrum of WaterMatthias Heyden, Jian Sun, Harald Forbert, et al.Biochemistry|August 20, 2003
Deactivation of rhodopsin in the transition from the signaling state meta II to meta III involves a thermal isomerization of the retinal chromophore C[double bond]DReiner Vogel, Friedrich Siebert, Gerald Mathias, et al.Plant Physiology|December 11, 2021
Regioselectivity mechanism of the Thunbergia alata Δ6-16:0-acyl carrier protein desaturaseJodie E Guy, Yuanheng Cai, Marcel D Baer, et al.Journal of Chemical Theory and Computation|July 23, 2026
Charge Transport in Solvated Donor-Acceptor Functionalized Peptoids: Molecular Dynamics and Rate TheoryZongwei Huang, Bradley S Harris, Slater T Bakenhaster, et al.Proceedings of the National Academy of Sciences of the United States of America|June 23, 2010
Dissecting the THz spectrum of liquid water from first principles via correlations in time and spaceMatthias Heyden, Jian Sun, Stefan Funkner, et al.Pageof 8