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# is nitrogen gas a compound

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Accurate and Compatible Force Fields for Molecular Oxygen, Nitrogen, and Hydrogen to Simulate Gases, Electrolytes, and Heterogeneous Interfaces » Gas molecules and interfaces with liquids and solids play a critical role in living organisms, sorption, catalysis, and the environment. Monitoring adsorption and heterogeneous interfaces remains difficult in experiments, and earlier models for molecular simulations lead to errors over 100% in fundamental molecular properties. We introduce conceptually new force field parameters for molecular oxygen, nitrogen, and hydrogen that reduce deviations to <5%. We employ a combination of a harmonic bond stretching potential and Lennard-Jones parameters with 12-6 and 9-6 options, leading to computed bond lengths, Raman peaks, liquid densities, vaporization enthalpies, and free energies of hydration in impressive agreement with experiments. Reliable free energies of hydration were obtained upon validation of density and vaporization energy without significant further parameter adjustments. We illustrate applications to O2 adsorption on Pt electrocatalysts and N2 adsorption in zeolites, showing <5% deviation in adsorpti

How do plants get their nitrogen from the air? » Plants do not get their nitrogen directly from the air. Although nitrogen is the most abundant element in the air, every nitrogen atom in the air i…

Chemistry of Nitrogen (Z=7) » Nitrogen is present in almost all proteins and plays important roles in both biochemical applications and industrial applications. Nitrogen forms strong bonds because of its ability to form a triple …

Nitrogen and hydrogen as carrier and make‐up gases for GC‐MS with Cold EI » Gas chromatography–mass spectrometry (GC‐MS) with Cold EI is based on interfacing GC and MS with a supersonic molecular beam (SMB) and sample compounds ionization with a fly‐through ion source as vibrationally cold compounds in…

Nitrogen » Nitrogen | N2 | CID 947 - structure, chemical names, physical and chemical properties, classification, patents, literature, …

Overview of Greenhouse Gases | US EPA » Information on emissions and removals of the main greenhouse gases to and from the atmosphere.


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