Found 35 datasets matching "quantum chemistry".
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Ames Quantum Chemistry Dataset collects electronic structure, reaction kinetics, and dynamics data calculated at Ames Research Center. This includes potential energy curves and surfaces as well as...
Search relevance: 219.09 | Views last month: 5 -
This dataset contains actinic flux and photolysis frequencies for photodissociation reactions for a variety of chemical species during the four ATom campaigns. Spectrally resolved actinic flux was...
Search relevance: 48.91 | Views last month: 0 -
Datasets in digital electronic formats are provided for data contained in the publication "Recommended Values for the Gas Phase Enthalpies of Formation of Hydrogen-Oxygen Species;" J. Res. Natl....
Search relevance: 42.71 | Views last month: 0 -
ASIA-AQ_TraceGas_AircraftInSitu_DC8_Data is the in-situ trace gas data collected onboard the DC-8 aircraft during the Airborne and Satellite Investigation of Asian Air Quality (ASIA-AQ) campaign....
Search relevance: 34.53 | Views last month: 2 -
The NIST Computational Chemistry Comparison and Benchmark Database is a collection of experimental and ab initio thermochemical properties for a selected set of gas-phase molecules. The goals are...
Search relevance: 26.83 | Views last month: 7 -
We show in the present study that the unsaturated aldehydes, 2-E-pentenal, 2-E-hexenal and 3-Z-hexenal, are biogenic volatile organic compound (BVOC) precursors for polar organosulfates with...
Search relevance: 25.13 | Views last month: 0 -
The Alabama Real-time Coastal Observing System (ARCOS) with support of the Dauphin Island Sea Lab is a network of continuously sampling observing stations that collect observations of...
Search relevance: 18.18 | Views last month: 0 -
The Neuse River Estuary Water Quality Dataset is a compilation of the biological, chemical and physical water quality data that was collected along the length of the Neuse River Estuary, North...
Search relevance: 12.86 | Views last month: 0 -
This dataset consists of trawl and epibenthic sampling in turtlegrass-dominated seagrass beds of the northern Gulf of America, including Lower Laguna Madre, TX; Coastal Bend, TX; Chandeleur...
Search relevance: 9.44 | Views last month: 0 -
This dataset contains results from 12-week laboratory turbidity exposures on two species of threatened stony corals, Acropora cervicornis (ACER) and Orbicella faveolata (OFAV). Experiments were...
Search relevance: 8.88 | Views last month: 0 -
The NOAA National Estuarine Research Reserve (NERR) System-wide Monitoring Program (SWMP) collects meteorological, water quality, and nutrient/pigment data on an ongoing basis. Meteorological...
Search relevance: 8.38 | Views last month: 0 -
This dataset is comprised of many biochemical analyses performed throughout the course of a 90-day laboratory exposure experiments to determine the chronic effects of fine-sediment generated...
Search relevance: 7.88 | Views last month: 0 -
This dataset is comprised of many biochemical analyses performed throughout the course of a 90-day laboratory exposure experiments to determine the chronic effects of fine-sediment generated...
Search relevance: 7.88 | Views last month: 0 -
This dataset is comprised of multiple analyses from a 90-day laboratory exposure experiment to determine the chronic effects of fine-sediment generated turbidity in combination with increased...
Search relevance: 7.77 | Views last month: 0 -
Values are computed for the dilute-gas diffusivity of water isotopologues in N2, O2, and their mixture at a composition representing air, for standard conditions of 101.325 kPa and water mole...
Search relevance: 6.57 | Views last month: 0 -
This database contains the rotational spectral lines observed and reported in the open literature for 91 hydrocarbon molecules through September 1987. The isotopic molecular species, assigned...
Search relevance: 6.34 | Views last month: 1 -
An implementation of the Bote-Salvat ionization cross-section parameterized algorithm for electron image up to 1 GeV. Based on * D. Bote and F. Salvat, "Calculations of inner-shell ionization...
Search relevance: 6.11 | Views last month: 0 -
This database contains the rotational spectral lines observed and reported in the open literature for 121 diatomic molecules through July 2002. The isotopic molecular species, assigned quantum...
Search relevance: 6.04 | Views last month: 2 -
CO2 is studied using dispersed synchrotron radiation in the 650 Å and 840 Å spectral region. The vibrationally resolved photoelectron spectra are analyzed to generate relative vibrational...
Search relevance: 6.04 | Views last month: 0