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Marcel Baer
Marcel Baer
Scientist, PNNL
Verified email at pnnl.gov
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Cited by
Cited by
Year
No confinement needed: Observation of a metastable hydrophobic wetting two-layer ice on graphene
GA Kimmel, J Matthiesen, M Baer, CJ Mundy, NG Petrik, RS Smith, ...
Journal of the American Chemical Society 131 (35), 12838-12844, 2009
1932009
Simulation and theory of ions at atmospherically relevant aqueous liquid-air interfaces
DJ Tobias, AC Stern, MD Baer, Y Levin, CJ Mundy
arXiv preprint arXiv:1306.6858, 2013
1682013
Toward an understanding of the specific ion effect using density functional theory
MD Baer, CJ Mundy
The Journal of Physical Chemistry Letters 2 (9), 1088-1093, 2011
1302011
Polarization- and Azimuth-Resolved Infrared Spectroscopy of Water on TiO2(110): Anisotropy and the Hydrogen-Bonding Network
GA Kimmel, M Baer, NG Petrik, J VandeVondele, R Rousseau, CJ Mundy
The Journal of Physical Chemistry Letters 3 (6), 778-784, 2012
1002012
Highly stable and self-repairing membrane-mimetic 2D nanomaterials assembled from lipid-like peptoids
H Jin, F Jiao, MD Daily, Y Chen, F Yan, YH Ding, X Zhang, EJ Robertson, ...
Nature communications 7 (1), 1-8, 2016
992016
Toward a unified picture of the water self-ions at the air–water interface: A density functional theory perspective
MD Baer, IFW Kuo, DJ Tobias, CJ Mundy
The Journal of Physical Chemistry B 118 (28), 8364-8372, 2014
952014
Re-examining the properties of the aqueous vapor–liquid interface using dispersion corrected density functional theory
MD Baer, CJ Mundy, MJ McGrath, IFW Kuo, JI Siepmann, DJ Tobias
The Journal of chemical physics 135 (12), 124712, 2011
932011
Supersaturated calcium carbonate solutions are classical
K Henzler, EO Fetisov, M Galib, MD Baer, BA Legg, C Borca, JM Xto, ...
Science advances 4 (1), eaao6283, 2018
912018
Tuning crystallization pathways through sequence engineering of biomimetic polymers
X Ma, S Zhang, F Jiao, CJ Newcomb, Y Zhang, A Prakash, Z Liao, ...
Nature materials 16 (7), 767-774, 2017
912017
Revisiting the hydration structure of aqueous Na+
M Galib, MD Baer, LB Skinner, CJ Mundy, T Huthwelker, GK Schenter, ...
The Journal of chemical physics 146 (8), 084504, 2017
842017
The role of broken symmetry in solvation of a spherical cavity in classical and quantum water models
RC Remsing, MD Baer, GK Schenter, CJ Mundy, JD Weeks
The journal of physical chemistry letters 5 (16), 2767-2774, 2014
802014
Electrochemical surface potential due to classical point charge models drives anion adsorption to the air–water interface
MD Baer, AC Stern, Y Levin, DJ Tobias, CJ Mundy
The Journal of Physical Chemistry Letters 3 (11), 1565-1570, 2012
802012
Probing the hydration structure of polarizable halides: a multiedge XAFS and molecular dynamics study of the iodide anion
JL Fulton, GK Schenter, MD Baer, CJ Mundy, LX Dang, ...
The Journal of Physical Chemistry B 114 (40), 12926-12937, 2010
802010
Does nitric acid dissociate at the aqueous solution surface?
T Lewis, B Winter, AC Stern, MD Baer, CJ Mundy, DJ Tobias, ...
The Journal of Physical Chemistry C 115 (43), 21183-21190, 2011
782011
Is iodate a strongly hydrated cation?
MD Baer, VT Pham, JL Fulton, GK Schenter, M Balasubramanian, ...
The Journal of Physical Chemistry Letters 2 (20), 2650-2654, 2011
642011
Identifying residual structure in intrinsically disordered systems: a 2D IR spectroscopic study of the GVGXPGVG peptide
J Lessing, S Roy, M Reppert, M Baer, D Marx, TLC Jansen, J Knoester, ...
Journal of the American Chemical Society 134 (11), 5032-5035, 2012
582012
Real single ion solvation free energies with quantum mechanical simulation
TT Duignan, MD Baer, GK Schenter, CJ Mundy
Chemical science 8 (9), 6131-6140, 2017
572017
Persistent ion pairing in aqueous hydrochloric acid
MD Baer, JL Fulton, M Balasubramanian, GK Schenter, CJ Mundy
The Journal of Physical Chemistry B 118 (26), 7211-7220, 2014
572014
Thermodynamics of iodide adsorption at the instantaneous air-water interface
AC Stern, MD Baer, CJ Mundy, DJ Tobias
The Journal of chemical physics 138 (11), 114709, 2013
562013
Ab initio molecular dynamics simulation of proton hopping in a model polymer membrane
R Devanathan, N Idupulapati, MD Baer, CJ Mundy, M Dupuis
The Journal of Physical Chemistry B 117 (51), 16522-16529, 2013
522013
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