EM Database v1.0: A benchmark informatics platform for data-driven discovery of energetic materials
Energetic Materials FrontiersLarge-scale data demonstrates great significance for the discovery of novel energetic materials (EMs). However, the open-source databases of EMs are not readily available.
Xin Huang +4 more
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The rate of water vapor evaporation from ice substrates in the presence of HCl and HBr: implications for the lifetime of atmospheric ice particles [PDF]
Atmospheric Chemistry and Physics, 2003 Using a multidiagnostic approach the rate Rev [ molec cm-3 s-1] or flux Jev [ molec cm-2 s-1] of evaporation of H2O and its corresponding rate constant for condensation, kcond [s-1 ], on a 1 µm thick ice film have been studied in the temperature ...
C. Delval, B. Fluckiger, M. J. Rossi
doaj
Reproduction of experimental data for stacked caffeine dimers using various computational methods
Scientific ReportsReliable description of stacking interaction of aromatic molecules is important for the understanding structure, stability, and functions of biopolymers.
Maria Patricia Sanchez Gutierrez +4 more
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CHalomethanes (CH3X, where X = F, Cl, Br) are potent atmospheric pollutants, and their removal via adsorption on activated carbons (ACs) is a critical remediation strategy.
María E. Farías Hermosilla +1 more
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The Astrophysical JournalInfrared (IR) spectral features of interstellar and solar system ices have been attributed to solid organic and inorganic compounds for over 50 yr, but in many cases the laboratory IR data needed to fully quantify such work have never been published ...
Reggie L. Hudson +2 more
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Low-enthalpy geothermal resources for power generation
, 2008 [Publisher's Summary]: In many developing countries the exponentially growing electricity demand can be covered by using locally available, sustainable low-enthalpy geothermal resources (80-150 °C).
Chandrasekharam, D., Bundschuh, Jochen
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Sublimation-Induced Sulfur Vacancies in MoS2 Catalyst for One-Pot Synthesis of Secondary Amines
, 2019 MoS2 catalysts with abundant S and Mo defects have been developed for the one-pot reductive amination of nitro compounds with aldehydes to synthesize secondary amines. The combination of multiple structural characterizations demonstrates that the density
Ding Ma +15 more
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A Departure Function-Based Method to Determine the Effect of the Oil Circulation Ratio on the Performance of Vapor Compression Refrigeration Systems [PDF]
, 2012 A method to estimate the performance of single-stage vapor compression refrigeration systems as a function of the oil circulation ratio is presented. The model is based on the Peng-Robinson equation of state and on the theory of departure functions to ...
Barbosa Jr., Jader +1 more
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Vaporization, Sublimation Enthalpy, and Crystal Structures of Imidazo[1,2‑a]pyrazine and Phthalazine
, 2016 The vaporization enthalpy of imidazo[1,2-a]pyrazine is evaluated by correlation gas chromatography using two sets of standards and by transpiration. Vaporization enthalpies were evaluated using heterocyclic standards with dipole moments that vary from ...
James Chickos (1434607) +5 more
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Fusion enthalpies of benzoic acid derivatives, aromatic and heteroaromatic carboxylic acids as a tool for estimation of sublimation enthalpies at 298.15 K [PDF]
, 2016 © 2016 Elsevier B.V.In this work a method of estimation of sublimation enthalpies of benzoic acid derivatives and aromatic or heteroaromatic carboxylic acids was developed.
Yagofarov M. +2 more
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