Polarization forces in water deduced from single molecule data
E.V. Tsiper
School of Computational Sciences, George Mason University, Fairfax, VA 22030-4444
Center for Computational Materials Science, Naval Research Laboratory, Washington, DC 20375
Intermolecular polarization interactions in water are determined
using a minimal atomic multipole model constructed with distributed
polarizabilities. Hydrogen bonding and other properties of
water-water interactions are reproduced to fine detail by only three
multipoles μ(H), μ(O), and θ(O) and two polarizabilities
α(O) and α(H), which characterize a single water molecule
and are deduced from single molecule data.
Studies of carbohydrate-carbohydrate-interactions by atomic force microscopy employing functionalized 4-acetylthio-butyl glucopyranosides.
Carbohydrate Research, p.108649., 2022.
Mghaiouini, R., Elmlouky, A., El Moznine, R., Monkade, M. and El Bouari, A.,
The influence of the electromagnetic field on the electric properties of water.
Mediterranean Journal of Chemistry, 10(5), pp.507-515., 2020.
Garoma, T. and Yazdi, R.E.,
Investigation of the disruption of algal biomass with chlorine.
BMC plant biology, 19(1), pp.1-9., 2019.
Udal’tsov, A.V.,
Energy levels governed by golden section in OH+... O moiety under proton sharing coupled with spin-orbit interactions.
Vibrational Spectroscopy, 97, pp.16-23, 2018.
Kaatze, U.,
Water, the special liquid.
Journal of Molecular Liquids, 259, pp.304-318, 2018.
Zhang, Z., Li, D., Jiang, W. and Wang, Z.,
The electron density delocalization of hydrogen bond systems.
Advances in Physics: X, 3(1), p.1428915, 2018.
Gorji, A. and Bowler, N.,
Concentration and temperature dependent models of dielectric spectral parameters for low-concentration ionic aqueous solutions.
Precision radio-frequency and microwave dielectric spectroscopy and characterization of ionic aqueous solutions, 1001, p.91, 2018.
Udal'tsov, A.V.,
Polaronic exciton and its energy levels in water structure.
Journal of Molecular Liquids, 227, pp.262-267, 2017.
Udal'tsov, A.V.,
Water tetrahedron intercalated with hydronium ion (H3O+) as molecular reactor producing deuterium under X-ray absorption.
Journal of Molecular Liquids, 237, pp.99-107, 2017.
The influence of redistribution ions in subphase at the properties Langmuir monolayer: physical and theoretical experiments.
In Saratov Fall Meeting 2015: Third International Symposium on Optics and Biophotonics and Seventh Finnish-Russian Photonics and Laser Symposium (PALS) (Vol. 9917, pp. 385-391). SPIE, 2016.
Stafford, S.J.P.,
An experimental study on the dynamic compression and subsequent freezing of water
Doctoral dissertation, Imperial College London, 2015.
Kaatze, U.,
Dielectric relaxation of water. Dielectric relaxation in biological systems: physical principles, methods, and applications.
Oxford University Press, Oxford, UK, pp.189-227, 2015.
Pang, X.F.,
Water: molecular structure and properties.
World Scientific. ISBN 978-98-144-4042-4, 2014.
Le Bui, T.V.,
Cryopreservation, culture recovery and glucose induced programmed cell death in chlorophyte microalgae
Doctoral dissertation, University of Queensland, 2014.
The influence of water interfacial potentials on ion hydration in bulk water and near interfaces.
Chemical Physics Letters, 561, pp.1-13, 2013.
Zamith, S., de Tournadre, G., Labastie, P. and L’Hermite, J.M.,
Attachment cross-sections of protonated and deprotonated water clusters.
The Journal of Chemical Physics, 138(3), p.034301, 2013.
Григоренко, А.М.,
Технологія желейних і збивних напівфабрикатів на основі драглеутворювачів білково-полісахаридної природи та їх використання в кондитерських виробах.
Doctoral dissertation, National University of Kharkiv, Ukraine, 2013.
Beck, T.L.,
The influence of water interfacial potentials on ion hydration free energies and density profiles near the surface.
arXiv preprint arXiv:1209.4516, 2012.
Persson, R.,
Algorithms and Interaction Potentials: phase density, surface tension and carbon dioxide.
Doctoral Thesis, Göteborgs U. ISBN 978-91-628-8596-0, 2012.
Wang, J., Román-Pérez, G., Soler, J.M., Artacho, E. and Fernández-Serra, M.V.,
Density, structure, and dynamics of water: The effect of van der Waals interactions.
The Journal of chemical physics, 134(2), p.024516, 2011.
Wang, J.,
First Principles Study of Water: From Fundamental Properties to Photocatalytic Reaction
Doctoral dissertation, State University of New York at Stony Brook, 2011.
Beketow, E.,
Darstellung funktionalisierter Mono-und Disaccharid-Derivate und Untersuchung ihrer Rolle bei inter-sowie intrazellulären Erkennungsprozessen
Doctoral dissertation, Staats-und Universitätsbibliothek Hamburg Carl von Ossietzky, 2010.
Zamith, S., Feiden, P., Labastie, P. and l’Hermite, J.M.,
Attachment cross sections of protonated water clusters.
The Journal of chemical physics, 133(15), p.154305, 2010.
Vítek, A., Kalus, R. and Paidarová, I.,
Structural changes in the water tetramer. A combined Monte Carlo and DFT study.
Physical Chemistry Chemical Physics, 12(41), pp.13657-13666, 2010.
Scheppokat, A.M., Gerber, A., Schroven, A., Meinke, S., Kopitzki, S., Beketow, E., Thimm, J. and Thiem, J.,
Enzymatic glycosylation, inhibitor design, and synthesis and formation of glyco-self assembled monolayers for simulation of recognition.
European journal of cell biology, 89(1), pp.39-52, 2010.
Schropp, B.,
Entwicklung und Analyse polarisierbarer Potentialfunktionen für Molekulardynamiksimulationen
Doctoral dissertation, LMU, 2010.
Raghunathan, A.V.,
Molecular understanding of osmosis and a multiscale framework to investigate confined fluid properties
Doctoral dissertation, University of Illinois at Urbana-Champaign, 2010.
Kirby, D.J., Chang, D.T., Stratton, F.P. and Zinck, J.J.,
A differential capacitive thin film hydrogen sensor.
Sensors and Actuators B: Chemical, 141(2), pp.424-430, 2009.
Catli, Y.,
Studying Electric Field Effect on Water by Analysing the Instrument “Hydronic”.
University of Trento: Trento, Italy, 2009.
Baranyai, A.,
A computationally less demanding charge-on-spring model for the water molecule.
The Journal of chemical physics, 131(11), p.114104, 2009.
Kolafa, J.,
A polarizable three-site water model with intramolecular polarizability.
Collection of Czechoslovak Chemical Communications, 73(4), pp.507-517, 2008.
Schropp, B. and Tavan, P.,
The polarizability of point-polarizable water models: density functional theory/molecular mechanics results.
The Journal of Physical Chemistry B, 112(19), pp.6233-6240, 2008.
Pagliai, M., Cavazzoni, C., Cardini, G., Erbacci, G., Parrinello, M. and Schettino, V.,
Anharmonic infrared and Raman spectra in Car–Parrinello molecular dynamics simulations.
The Journal of chemical physics, 128(22), p.224514, 2008.
Gershnabel, E. and Averbukh, I.S.,
Laser-induced selective alignment of water spin isomers.
Physical Review A, 78(6), p.063416, 2008.
Polarization effects in aqueous and nonaqueous solutions.
Journal of Chemical Theory and Computation, 3(6), pp.2055-2067, 2007.
Piquemal, J.P., Cisneros, G.A., Reinhardt, P., Gresh, N. and Darden, T.A.,
Towards a force field based on density fitting.
The Journal of chemical physics, 124(10), p.104101, 2006.
Leung, K. and Rempe, S.B.,
Ab initio rigid water: Effect on water structure, ion hydration, and thermodynamics.
Physical Chemistry Chemical Physics, 8(18), pp.2153-2162, 2006.
Richard, T.,
Etude infrarouge et isotopique de l'eau adsorbée et confinée
Doctoral dissertation, Université Paris Sud-Paris XI, 2006.
Roney, A.B.,
Structure and dynamics of heterogeneous molecular systems.
Doctoral Thesis, U. of South Florida, 2006.
Masia, M., Probst, M. and Rey, R.,
On the performance of molecular polarization methods. II. Water and carbon tetrachloride close to a cation.
The Journal of chemical physics, 123(16), p.164505, 2005.
Williams, J.M.,
Biological effects of microwaves: Thermal and nonthermal mechanisms.
arXiv preprint physics/0102007, 2001.