Applications of metal-organic frameworks in adsorption/separation processes via hydrogen bonding interactions
Because of high porosity, diverse functionalities, and easy modification, metal-organic
frameworks (MOFs) have important applications in adsorption. Although there are several …
frameworks (MOFs) have important applications in adsorption. Although there are several …
Water clusters: Untangling the mysteries of the liquid, one molecule at a time
FN Keutsch, RJ Saykally - Proceedings of the National …, 2001 - National Acad Sciences
Extensive terahertz laser vibration-rotation-tunneling spectra and mid-IR laser spectra have
been compiled for several isotopomers of small (dimer through hexamer) water clusters …
been compiled for several isotopomers of small (dimer through hexamer) water clusters …
Energy landscapes
DJ Wales - Atomic clusters and nanoparticles. Agregats atomiques …, 2002 - Springer
This overview of energy landscapes will focus on some rigorous properties of potential
energy surfaces (PES's), especially the symmetry properties of steepest-descent paths, and …
energy surfaces (PES's), especially the symmetry properties of steepest-descent paths, and …
Water clusters
K Liu, JD Cruzan, RJ Saykally - Science, 1996 - science.org
A surge of progress in both laser spectroscopy experiments and theoretical dynamics
methods has facilitated new, highly detailed studies of water clusters. The geometrical …
methods has facilitated new, highly detailed studies of water clusters. The geometrical …
Quantifying hydrogen bond cooperativity in water: VRT spectroscopy of the water tetramer
Measurement of the far-infrared vibration-rotation tunneling spectrum of the perdeuterated
water tetramer is described. Precisely determined rotational constants and relative intensity …
water tetramer is described. Precisely determined rotational constants and relative intensity …
The water trimer
FN Keutsch, JD Cruzan, RJ Saykally - Chemical reviews, 2003 - ACS Publications
Non-pairwise-additive or cooperative intermolecular forces may account for up to 25% of the
cohesive energy of bulk-phase water, most of which result from three-body effects. 1 …
cohesive energy of bulk-phase water, most of which result from three-body effects. 1 …
Vibration-rotation tunneling spectra of the water pentamer: Structure and dynamics
Far-infrared laser vibration-rotation tunneling spectroscopy was used to measure an
intermolecular vibration (81.19198 wave numbers) of the isolated water (D2O) pentamer …
intermolecular vibration (81.19198 wave numbers) of the isolated water (D2O) pentamer …
Terahertz laser vibration− rotation tunneling spectroscopy and dipole moment of a cage form of the water hexamer
Tunable terahertz laser vibration− rotation-tunneling spectroscopy has been employed to
characterize the structure and hydrogen bond network rearrangement dynamics of a cage …
characterize the structure and hydrogen bond network rearrangement dynamics of a cage …
Contribution of many-body terms to the energy for small water clusters: A comparison of ab initio calculations and accurate model potentials
MP Hodges, AJ Stone, SS Xantheas - The Journal of Physical …, 1997 - ACS Publications
We have tested the ability of two new model potentials constructed using intermolecular
perturbation theory methods to reproduce ab initio results at a comparable level of theory …
perturbation theory methods to reproduce ab initio results at a comparable level of theory …
Radical− Water complexes in earth's atmosphere
S Aloisio, JS Francisco - Accounts of Chemical Research, 2000 - ACS Publications
In the atmosphere, many chemical processes are controlled by open-shell radical species.
While these species are present in relatively small number densities, they initiate many of …
While these species are present in relatively small number densities, they initiate many of …