Results 21 to 30 of about 17,128 (260)

On the correlation between hydrogen bonding and melting points in the inositols

IUCrJ, 2014
Inositol, 1,2,3,4,5,6-hexahydroxycyclohexane, exists in nine stereoisomers with different crystal structures and melting points. In a previous paper on the relationship between the melting points of the inositols and the hydrogen-bonding patterns in ...
Sándor L. Bekö, Edith Alig, Martin U. Schmidt, Jacco van de Streek   +3 more
doaj   +1 more source

Formamidinium iodide: crystal structure and phase transitions

Acta Crystallographica Section E: Crystallographic Communications, 2017
At a temperature of 100 K, CH5N2+·I− (I), crystallizes in the monoclinic space group P21/c. The formamidinium cation adopts a planar symmetrical structure [the r.m.s. deviation is 0.002 Å, and the C—N bond lengths are 1.301 (7) and 1.309 (8) Å].
Andrey A. Petrov, Eugene A. Goodilin, Alexey B. Tarasov, Vladimir A. Lazarenko, Pavel V. Dorovatovskii, Victor N. Khrustalev   +5 more
doaj   +1 more source

Effects of Residual Solvents in the Phase Transition, Transition Enthalpy, and Transition Temperature of Phospholipid Membranes

Journal of the Society of Cosmetic Scientists of Korea, 2014
Abstract: Lipid membranes composed of phosphatidylcholine (PC) are used in biophysical study to mimic cellular mem-branes and interactions between the membrane and chemicals, where organics solvents are used in dissolving lipids or chemicals. Later, solvents are removed from the solution under nitrogen gas at room temperature, followed by the further ...
Eun Seol An, Jae Sun Choi, Dong Kuk Lee
openaire   +2 more sources

Universal phase transitions of B1 structured stoichiometric transition-metal carbides

, 2011
The high-pressure phase transitions of B1-structured stoichiometric transition metal carbides (TMCs, TM=Ti, Zr, Hf, V, Nb, and Ta) were systematically investigated using ab initio calculations.
Ahuja R., Bo Xu, Cohen A. J., De Vita A., Dubrovinskaia N. A., Gao G. Y., Gao G. Y., Glass C. W., Guo Q. Z., Habas M. -P., Hui-Tian Wang, Jacobsen S. D., Julong He, Kresse G., Kusaba K., Li Q., Li Y. W., Li-Min Wang, Liermann H. P., Liermann H. P., Liermann H. P., Lv J., Ma Y. M., Ma Y. M., Mao H. K., Mehl M. J., Monkhorst H. J., Nye J. F., Oganov A. R., Oganov A. R., Oganov A. R., Oganov A. R., Ono S., Pendas A. M., Perdew J. P., Rousse G., Shoji H., Stokes H. T., Stokes H. T., Toledano P., Vanderbilt D., Wang Y. C., Watanabe M., Winkler B., Xiang-Feng Zhou, Xie Y., Xu J. A., Yongjun Tian, Yoo C. S., Zhang M. G., Zhisheng Zhao, Zhongyuan Liu   +51 more
core   +1 more source

Thermophysical properties and oxygen transport in (Thx,Pu1-x)O2 [PDF]

, 2016
Using Molecular Dynamics, this paper investigates the thermophysical properties and oxygen transport of (Thx,Pu1−x)O2 (0 ≤ x ≤ 1) between 300-3500 K.
Cooper, MWD, Galvin, C, Grimes, RW, Rushton, MJD   +3 more
core   +2 more sources

Lipid ion channels and the role of proteins [PDF]

, 2013
Synthetic lipid membranes in the absence of proteins can display quantized conduction events for ions that are virtually indistinguishable from those of protein channel. By indistinguishable we mean that one cannot decide based on the current trace alone
Heimburg, Thomas, Mosgaard, Lars D.
core   +1 more source

Benchmarking acid and base dopants with respect to enabling the ice V to XIII and ice VI to XV hydrogen-ordering phase transitions

, 2018
Doping the hydrogen-disordered phases of ice V, VI and XII with hydrochloric acid (HCl) has led to the discovery of their hydrogen-ordered counterparts ices XIII, XV and XIV.
Alexander Rosu-Finsen, Bjerrum J., Christoph G. Salzmann, Jolly W. L., Petrenko V. F., Ueda M.   +5 more
core   +1 more source

Empirical Rules in Thermochemistry: Overlooked Overestimations of the Liquid- and Crystal-Phase Heat Capacities of α,ω-Alkanediols and Their Consequences

Liquids
The utilisation of empirical correlations for the estimation of thermodynamic functions is a valuable approach for reducing experimental effort and for validating existing data.
Riko Siewert, Vladimir V. Emelyanov, Artemiy A. Samarov, Matthis Richter, Karsten Müller, Sergey P. Verevkin   +5 more
doaj   +1 more source

Defect physics of BaCuChF (Ch=S, Se, Te) p-type transparent conductors

, 2010
Native point defects, defect complexes, and oxygen impurities in BaCuChF were studied using density functional theory calculations, self-consistent thermodynamic simulations, and various experimental techniques.
Schneider, G., Tate, J., Zakutayev, A.
core   +2 more sources

Does the Oxygen Functionality Really Improve the Thermodynamics of Reversible Hydrogen Storage with Liquid Organic Hydrogen Carriers?

Oxygen
Liquid organic hydrogen carriers (LOHCs) are aromatic molecules that are being considered for the safe storage and release of hydrogen. The thermodynamic properties of a range of aromatic ethers were investigated using various experimental and ...
Sergey P. Verevkin, Artemiy A. Samarov, Sergey V. Vostrikov   +2 more
doaj   +1 more source