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Journal of the American Chemical Society, ISSN 0002-7863, 08/2016, Volume 138, Issue 30, pp. 9634 - 9645
The long-range influence of ions in solution on the water hydrogen-bond (H-bond) network remains a topic of vigorous debate. Recent spectroscopic and... 
SALT-SOLUTIONS | AQUEOUS-SOLUTIONS | MOLECULAR-DYNAMICS | VIBRATIONAL-ENERGY | H2O | ULTRAFAST DYNAMICS | RAMAN-SPECTROSCOPY | LIQUID WATER | RELAXATION | CHEMISTRY, MULTIDISCIPLINARY | SYMMETRY-BREAKING | Water | Infrared spectroscopy | Usage | Molecular dynamics | Ions | Nitrates | Chemical properties | Carbonates | Hydration (Chemistry)
Journal Article
Journal of Physical Chemistry A, ISSN 1089-5639, 06/2013, Volume 117, Issue 24, pp. 5205 - 5210
Small hydrated fluoride ion complexes, F-(H2O) (n = 1-3), have been studied by ab initio hybrid Monte Carlo (HMC) and ab initio path integral hybrid Monte... 
ENERGY | POLYMER MOLECULAR-DYNAMICS | F-(H2O)(N) | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | ENERGETICS | CHEMISTRY, PHYSICAL | SPECTRA | HYDRATION | RI-MP2 | Fluorides - chemistry | Ions - chemistry | Quantum Theory | Hydrogen Bonding | Monte Carlo Method | Water - chemistry | Molecular simulation | Fluorides | Chemical properties | Hydrogen bonding | Analysis
Journal Article
Drug Discovery Today, ISSN 1359-6446, 2007, Volume 12, Issue 13, pp. 534 - 539
Journal Article
Journal of Physical Chemistry B, ISSN 1520-6106, 01/2014, Volume 118, Issue 3, pp. 743 - 751
.How salts affect water structure is an important topic in many research fields. Salt-water clusters can be used as model systems to extract interaction... 
SODIUM-CHLORIDE | MOLECULAR CALCULATIONS | AB-INITIO CALCULATIONS | PHOTODISSOCIATION DYNAMICS | CHEMISTRY, PHYSICAL | LEVEL | ALKALI-METAL IONS | LOW-LYING FAMILIES | HYDRATION | HYBRID DENSITY FUNCTIONALS | SEA-SALT | Construction | Molecular structure | Tempering | Ion pairs | Clusters | Mathematical models | Sampling | Dynamical systems
Journal Article
Drug Discovery Today, ISSN 1359-6446, 07/2016, Volume 21, Issue 7, pp. 1139 - 1146
Despite the numerous methods available for predicting the location and affinity of water molecules, there is still a degree of scepticism and reluctance... 
MONTE-CARLO | LIGAND-BINDING-SITES | THERMODYNAMICS | INDIRUBIN DERIVATIVES | DRUG DESIGN | PHARMACOLOGY & PHARMACY | FREE-ENERGIES | INHIBITORS | SOLVATION | HYDRATION | MOLECULES | Drug Discovery | Monte Carlo Method | Water - chemistry | Case studies | Analysis | Drug discovery
Journal Article
Journal of Molecular Liquids, ISSN 0167-7322, 08/2017, Volume 240, pp. 56 - 64
The preferential solvation parameters ( ) of rosmarinic acid in binary solvent mixtures of ethanol + water and methanol + water were derived from their... 
Rosmarinic acid | IKBI | Ethanol | Preferential solvation | Inverse Kirkwood–Buff integrals | Methanol | Chemical industry | Herbicides | Pesticides industry | Alcohol, Denatured | Hydrogen | Analysis | Alcohol | Methods | Thermodynamics | Aquatic resources
Journal Article
Science, ISSN 0036-8075, 06/2018, Volume 360, Issue 6395, pp. 1339 - 1342
Journal Article
Journal of Physical Chemistry B, ISSN 1520-6106, 03/2016, Volume 120, Issue 8, pp. 1518 - 1525
The behavior of charged solute molecules in aqueous solutions is often classified using the concept of kosmotropes ("structure makers") and chaotropes... 
HOFMEISTER SERIES | SHELL | MOLECULAR-ORBITAL METHODS | MICROSOLVATION | DYNAMICS | CHEMISTRY | CHEMISTRY, PHYSICAL | IONS | SPECTRA | SIGNATURE | HYDRATION | ATOMIC AND MOLECULAR PHYSICS | Environmental Molecular Sciences Laboratory
Journal Article
Chemical Geology, ISSN 0009-2541, 03/2017, Volume 452, pp. 34 - 46
We analyzed the stable isotopes (δ O, δ O and δD) of gypsum hydration water (GHW) in a variety of speleothems, as well as condensation and infiltration waters... 
Gypsum speleothems | Gypsum caves | Gypsum hydration water | Condensation | Stable isotopes | EVAPORITE KARST | SINKHOLES | FRACTIONATION | OXYGEN | GEOCHEMISTRY & GEOPHYSICS | EVOLUTION | PRECIPITATION | SORBAS SE SPAIN | TEMPERATURE | HYDROGEN ISOTOPES | NE SPAIN | Gypsum | Drinking (Physiology) | Precipitation (Meteorology) | Analysis | Humidity
Journal Article
Fluid Phase Equilibria, ISSN 0378-3812, 05/2015, Volume 394, pp. 1 - 11
The conceptual design of a reactive separation process for the hydration of ethylene to ethanol requires reliable vapor-liquid equilibrium (VLE) data for the... 
Petrochemical ethanol | Phase diagrams | Vapor-liquid equilibrium | Ethylene hydration | Ternary systems | Alcohol | Alcohol, Denatured | Analysis | Ethylene | Thermodynamic models | Computer simulation | Ethanol | Ethyl alcohol | Mathematical models
Journal Article
Journal Article