Results 51 to 60 of about 1,577,920 (354)
Modeling Dissociation-Vibration Coupling with the Macroscopic Chemistry Method [PDF]
AIP Conference Proceedings, 2005 We test the recently developed macroscopic approach to modeling chemistry in DSMC [Lilliley & Macrossan, Physics of Fluids, 16(6), 2054-2066 (2004)], by simulating the flow of rarefied dissociating nitrogen over a blunt cylinder. In this macroscopic method, chemical reactions are decoupled from the collision routine.
Michael N. Macrossan, Charles R. Lilley
openaire +2 more sources
Geophysical Research Letters, 2023 Compared to stratospheric SO2 injection for climate intervention, alumina particle injection could reduce stratospheric warming and associated adverse impacts.
Sandro Vattioni +11 more
doaj +1 more source
Gas phase bond dissociation enthalpies and enthalpies of isomerization/reaction for small hydrocarbon combustion related compounds between 300 and 1500 K: A comparison of Gaussian-4 (G4) theoretical values against experimental data [PDF]
, 2010 Gas phase calculations at 1 atmosphere pressure between 300 and 1500 K at 200 K intervals were conducted using the Gaussian-4 (G4) composite method level of theory on a representative set of reactions having broad relevance in hydrocarbon combustion ...
Kaya Forest, Sierra Rayne, Sierra Rayne
core +3 more sources
Advanced Engineering Research, 2015 The work objective is to improve the operational conductometric vapor quality control at the thermal power plants. To this end, methods identifying СО2 concentrations in the vapor under the neutral aqueous-chemical mode without ammonia addition are ...
Vladimir N. Shcherbakov
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Model for acid-base chemistry in nanoparticle growth (MABNAG) [PDF]
Atmospheric Chemistry and Physics, 2013 Climatic effects of newly-formed atmospheric secondary aerosol particles are to a large extent determined by their condensational growth rates. However, all the vapours condensing on atmospheric nanoparticles and growing them to climatically relevant ...
T. Yli-Juuti +8 more
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CheMPS2: a free open-source spin-adapted implementation of the density matrix renormalization group for ab initio quantum chemistry [PDF]
, 2014 The density matrix renormalization group (DMRG) has become an indispensable numerical tool to find exact eigenstates of finite-size quantum systems with strong correlation.
Ayers, Paul W. +3 more
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Biomolecules, 2019 The unique electrochemical properties of ionic liquids (ILs) have motivated their use as solvents for organic synthesis and green energy applications.
Joshua Y. Lee +4 more
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Eigenstates of Thiophosgene Near the Dissociation Threshold -- Deviations From Ergodicity
, 2013 A subset of the highly excited eigenstates of thiophosgene (SCCl$_{2}$) near the dissociation threshold are analyzed using sensitive measures of quantum ergodicity.
Keshavamurthy, Srihari
core +1 more source
Angewandte Chemie, 2017 Polymeric or organic semiconductors are promising candidates for photocatalysis but mostly only show moderate activity owing to strongly bound excitons and insufficient optical absorption.
Guigang Zhang +8 more
semanticscholar +1 more source
Chlorine nitrate in the atmosphere [PDF]
Atmospheric Chemistry and Physics, 2018 This review article compiles the characteristics of the gas chlorine nitrate and discusses its role in atmospheric chemistry. Chlorine nitrate is a reservoir of both stratospheric chlorine and nitrogen.
T. von Clarmann, S. Johansson
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