Science · 1996 · 683 citations · 56 references
Natural SciencesChemistryPhysicsComputational ChemistryPhysical ChemistryTheoretical ChemistryCluster ChemistryLaser SpectroscopyMolecular BondingMolecular DynamicsMolecular InteractionsSolvation TheoryAqueous SolvationCooperativityDiffusion Monte CarloHydrogen Bond CooperativityHydrogen Bond DynamicsHydrogen BondingLigand SolvationWater Behavior
A surge of progress in both laser spectroscopy experiments and theoretical dynamics methods has facilitated new, highly detailed studies of water clusters. The geometrical structures and hydrogen-bond tunneling pathways of the water trimer, tetramer, pentamer, and hexamer systems have recently been characterized with global analysis of potential surfaces, diffusion Monte Carlo calculations, and far-infrared laser vibration-rotation tunneling spectroscopy. Results from these and other studies are yielding important insights into the cooperativity effects in hydrogen bonding, aqueous solvation, and hydrogen-bond network rearrangement dynamics, which promise to enhance our understanding of solid and liquid water behavior.
56
Frank H. Stillinger · Science · 1980 · 1.1K citations
Natural Sciences, Chemistry, Physics +15
‘‘<i>Ab</i> <i>initio</i>’’ liquid water
Kari Laasonen, Michiel Sprik, Michele Parrinello et al. · The Journal of Chemical Physics · 1993 · 608 citations · Full text
Natural Sciences, Chemistry, Physics +17