Results 41 to 50 of about 10,269 (215)
From wave function to crystal morphology: application to urea and alpha-glycine [PDF]
, 1991 In this paper the relation between the molecular electron density distribution and the crystal growth morphology is investigated. Accurate charge densities derived from ab initio quantum chemical calculations were partitioned into multipole moments, to ...
Bennema, P. +5 more
core +3 more sources
Eclética Química, 2018 Based on published thermodynamic quantities for solution, partitioning and sublimation of acetanilide (ACN), acetaminophen (ACP) and Phenacetin (PNC), the thermodynamic quantities for drugs solvation in octanol-saturated water (W(ROH)) and water ...
Yolima Baena +2 more
doaj +1 more source
Pharmaceutics, 2022 Formation thermodynamic parameters for three cocrystals of carbamazepine (CBZ) with structurally related coformers (benzamide (BZA), para-hydroxybenzamide (4-OH-BZA) and isonicotinamide (INAM)) were determined by experimental (cocrystal solubility and ...
Alex N. Manin +5 more
doaj +1 more source
Advanced Intelligent Discovery, EarlyView.Materials informatics and autonomous experimentation are transforming the discovery of organic molecular crystals. This review presents an integrated molecule–crystal–function–optimization workflow combining machine learning, crystal structure prediction, and Bayesian optimization with robotic platforms.
Takuya Taniguchi +2 more
wiley +1 more source
Cooling by conversion of para to ortho-hydrogen [PDF]
, 1983 The cooling capacity of a solid hydrogen cooling system is significantly increased by exposing vapor created during evaporation of a solid hydrogen mass to a catalyst and thereby accelerating the endothermic para-to-ortho transition of the vapor to ...
Sherman, A.
core +1 more source
Changes in the thermal characteristics of fullerenes in a nitrogen atmosphere [PDF]
EPJ Web of ConferencesIn order to study the thermal stability of Cn fullerenes (n = 28, 32, 44, 50, 56, 60, 70, 84, 90, 94) in a nitrogen environment during the transition from the condensed phase to the gas phase, the method of thermodynamic modeling is used.
Barbin Nikolay +2 more
doaj +1 more source
First foot prints of chemistry on the shore of the Island of Superheavy Elements [PDF]
, 2012 Chemistry has arrived on the shore of the Island of Stability with the first chemical investigation of the superheavy elements Cn, 113, and 114. The results of three experimental series leading to first measured thermodynamic data and qualitatively ...
Eichler, Robert
core +2 more sources
Carbon Energy, EarlyView.New hierarchical ZIF‐derived nitrogen‐doped carbons (ZDCs) impregnated with LiCl are promising materials for sorption thermal batteries utilizing solar energy. This study examines the structural properties of ZDCs, the effect of LiCl loading, the enhancement of hydrothermal stability by nanoporous carbon, and the water adsorption properties of a series
Jan Marčec +7 more
wiley +1 more source
Angewandte Chemie, Volume 138, Issue 18, 27 April 2026.Compositionally engineered mixed solvated cocrystals enable modulation of thermosalient actuation. Guest ratio controls thermosalient temperature and propulsion intensity, providing a tunable platform for designing crystalline systems that exhibit stimuli‐responsive mechanical motion.
Ernesto A. Hernández‐Morales +5 more
wiley +2 more sources
Composition Stability and Cr-Rich Phase Formation in W-Cr-Y and W-Cr-Ti Smart Alloys
Metals, 2021 W-Cr-Y smart alloys are potential material candidates for plasma facing components due to their protective behaviour during the loss-of-coolant accident (LOCA), while maintaining beneficial properties of W during the normal operation of the fusion power ...
Damian Sobieraj +6 more
doaj +1 more source