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Journal of Geophysical Research - Atmospheres, ISSN 0148-0227, 02/2007, Volume 112, Issue D4, pp. D04210 - n/a
We present results for the electronic and atomic structures of different size molecular clusters containing sulfuric acid, water, and ammonia molecules. The... 
Atmospheric Composition and Structure | Aerosols and particles | Chemical kinetic and photochemical properties | Cloud physics and chemistry | composition and chemistry | Troposphere | ammonia | sulfuric acid | nucleation | H2SO4 | SYSTEM | PARTICLES | H2O | SOLIDS | NH3 | NUCLEATION | EXCHANGE | METEOROLOGY & ATMOSPHERIC SCIENCES | GENERALIZED GRADIENT APPROXIMATION | MOLECULES
Journal Article
The Journal of Physical Chemistry A, ISSN 1089-5639, 07/2004, Volume 108, Issue 29, pp. 6165 - 6174
Journal Article
The Journal of Physical Chemistry A, ISSN 1089-5639, 06/2016, Volume 120, Issue 23, pp. 4008 - 4015
Hydrated ions are crucially important in a wide array of environments, from biology to the atmosphere, and the presence and concentration of ions in a system... 
HOFMEISTER SERIES | MINIMA | GLOBAL OPTIMIZATION | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | (H2O)(N) | SIMULATIONS | TIP4P WATER | PHASE-DIAGRAM | MOLECULES
Journal Article
The Journal of Physical Chemistry B, ISSN 1520-6106, 08/2008, Volume 112, Issue 32, pp. 9709 - 9719
Journal Article
The Journal of Physical Chemistry A, ISSN 1089-5639, 09/2016, Volume 120, Issue 36, pp. 7225 - 7239
The structures, properties, and spectroscopic signatures of oxidized water clusters,(H2O)+ n=6–21, are examined in this work, to provide fundamental insight... 
OXIDATION | ADIABATIC CONNECTION | CATALYSIS | ELECTRON | EXCITATION-ENERGIES | EVOLUTION | MOLECULAR-ORBITAL METHODS | IONIZED WATER | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | MAGIC NUMBERS | CHEMISTRY, PHYSICAL | CATIONS (H2O)(N)(+)
Journal Article
Astronomy and Astrophysics, ISSN 0004-6361, 07/2011, Volume 525, Issue 9, p. A141
Aims. We aim at investigating the NH3/N2H+ abundance ratio toward the high-mass star-forming region AFGL 5142 with high angular resolution in order to study... 
stars: formation | ISM: clouds | ISM: individual objects: AFGL 5142 | ISM: molecules | astrochemistry | ISM: abundances | FAR-INFRARED SOURCES | MOLECULAR CLOUDS | H2O MASERS | AFGL-5142 | CHEMICAL DIFFERENTIATION | DENSE CLOUD CORES | EVOLUTION | OUTFLOWS | CARBON-MONOXIDE | ASTRONOMY & ASTROPHYSICS | STAR-FORMING REGION | Physics - Astrophysics of Galaxies
Journal Article
Crystal Growth & Design, ISSN 1528-7483, 04/2011, Volume 11, Issue 4, pp. 933 - 935
A well-isolated unique discrete cubane-like dibromide−hexahydrate cluster in the solid phase has been observed as a pyridylphosphine iron(II) counteranion. The... 
ORGANIC SUPRAMOLECULAR COMPLEX | HEXAMER | NETWORK | HYDROGEN-BOND | MATERIALS SCIENCE, MULTIDISCIPLINARY | (H2O) CLUSTERS | CRYSTALLOGRAPHY | MOLECULAR ICE | PLANAR | CHEMISTRY, MULTIDISCIPLINARY | OPEN FRAMEWORK | CRYPTAND | X-RAY
Journal Article
Chemical Physics Letters, ISSN 0009-2614, 1998, Volume 297, Issue 1, pp. 90 - 96
We report photoelectron spectra for the small anionic water clusters, W (n=2-11, excluding the tetramer), to explore the nature of the trace species... 
ANIONS | WATER CLUSTERS | STATES | (H2O)(N)(-) | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | SURFACE | CHEMISTRY, PHYSICAL | IONS | PHOTODETACHMENT | EXCESS ELECTRON | SPECTRA | COLLISIONS
Journal Article
Physical chemistry chemical physics : PCCP, ISSN 1463-9076, 05/2015, Volume 17, Issue 18, pp. 11958 - 11961
Traditionally, global cluster structure optimization is done by minimizing energy. As an alternative, we propose minimizing the difference between actual... 
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 05/2015, Volume 17, Issue 18, pp. 11958 - 11961
Traditionally, global cluster structure optimization is done by minimizing energy. As an alternative, we propose minimizing the difference between actual... 
CHEMISTRY, PHYSICAL | WATER CLUSTERS | GEOMETRY OPTIMIZATION | SPECTRA | (H2O)(N) CLUSTERS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | Clusters | Links | Simulation | Energy conservation | Optimization | Physical chemistry
Journal Article
The Journal of Physical Chemistry B, ISSN 1520-6106, 06/2004, Volume 108, Issue 23, pp. 7844 - 7853
Periodic density functional theory (DFT) based on plane waves (PW) and Hartree−Fock (HF) based on the linear combination of atomic orbitals (LCAO) calculations... 
PSEUDOPOTENTIALS | CHEMISORPTION | H2O DISSOCIATION | MOLECULAR ADSORPTION | AB-INITIO | SURFACE | CHEMISTRY, PHYSICAL | BASIS-SETS | POTENTIALS | ELECTRONIC-STRUCTURE | TIO2 | Density functionals | Water chemistry | Research | Adsorption | Atomic orbitals
Journal Article
Crystal Growth & Design, ISSN 1528-7483, 12/2010, Volume 10, Issue 12, pp. 5031 - 5033
A crownlike nonamer water cluster has been observed in the heterometallic supramolecular complex {[Cu(eda)2(H2O)2]3·[Ag6(mna)6]·9H2O} (1), which is built from... 
TRANSFORMATION | HEXAMER | STABILIZATION | MATERIALS SCIENCE, MULTIDISCIPLINARY | CRYSTAL | CRYSTALLOGRAPHY | CHEMISTRY, MULTIDISCIPLINARY | MOLECULES | DISCRETE (H2O) CLUSTERS | TRIMER | FRAMEWORK | SCHIFF-BASE | HEPTAMER
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 06/2014, Volume 16, Issue 21, pp. 9849 - 9858
Cold water oligomers (H2O)(n) and (D2O)(n) with n = 2-5 are assigned in spontaneous Raman scattering spectra of seeded rare gas expansions for the first time.... 
HEXAMER | OH-STRETCH SPECTROSCOPY | ABSORPTION-SPECTROSCOPY | IR-SPECTRA | VIBRATIONAL-ENERGY TRANSFER | H2O | AB-INITIO | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | LIQUID WATER | CHEMISTRY, PHYSICAL | CAVITY RINGDOWN SPECTROSCOPY | SIZE-SELECTED WATER | Coupling (molecular) | Geometry | Oligomers | Femtosecond | Raman scattering | Gas expansion | Constants | Excitation spectra | Oscillators
Journal Article
Computational and Theoretical Chemistry, ISSN 2210-271X, 11/2017, Volume 1120, pp. 102 - 111
The 16 lowest energy isomers of cationic water cluster (H O) have been comprehensively searched by the particle swarm optimization algorithm combined with... 
Gibbs free energy | Topological analysis | Isomer of (H2O)9 | Vibration analysis | Isomer of (H
Journal Article
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