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Showing 145 to 150 of 150 entries
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Novel magnesium borides and their superconductivity.

Physical chemistry chemical physics : PCCP

Davari Esfahani MM, Zhu Q, Dong H, Oganov AR, Wang S, Rakitin MS, Zhou XF.
PMID: 28534591
Phys Chem Chem Phys. 2017 Jun 07;19(22):14486-14494. doi: 10.1039/c7cp00840f.

With the motivation of searching for new superconductors in the Mg-B system, we performed ab initio evolutionary searches for all the stable compounds in this binary system in the pressure range of 0-200 GPa. We found previously unknown, yet...

Powder diffraction and crystal structure prediction identify four new coumarin polymorphs.

Chemical science

Shtukenberg AG, Zhu Q, Carter DJ, Vogt L, Hoja J, Schneider E, Song H, Pokroy B, Polishchuk I, Tkatchenko A, Oganov AR, Rohl AL, Tuckerman ME, Kahr B.
PMID: 28959416
Chem Sci. 2017 Jul 01;8(7):4926-4940. doi: 10.1039/c7sc00168a. Epub 2017 May 15.

Coumarin, a simple, commodity chemical isolated from beans in 1820, has, to date, only yielded one solid state structure. Here, we report a rich polymorphism of coumarin grown from the melt. Four new metastable forms were identified and their...

Grain boundary phases in bcc metals.

Nanoscale

Frolov T, Setyawan W, Kurtz RJ, Marian J, Oganov AR, Rudd RE, Zhu Q.
PMID: 29687111
Nanoscale. 2018 May 03;10(17):8253-8268. doi: 10.1039/c8nr00271a.

We report a computational discovery of novel grain boundary structures and multiple grain boundary phases in elemental body-centered cubic (bcc) metals represented by tungsten, tantalum and molybdenum. While grain boundary structures created by the γ-surface method as a union...

Ethane and methane at high pressures: Structure and stability.

The Journal of chemical physics

Stavrou E, Maryewski AA, Lobanov SS, Oganov AR, Konôpková Z, Prakapenka VB, Goncharov AF.
PMID: 34773959
J Chem Phys. 2021 Nov 14;155(18):184503. doi: 10.1063/5.0067828.

We have performed a combined experimental and theoretical study of ethane and methane at high pressures of up to 120 GPa at 300 K using x-ray diffraction and Raman spectroscopies and the USPEX ab initio evolutionary structural search algorithm,...

D-Dimer-Driven Anticoagulation Reduces Mortality in Intubated COVID-19 Patients: A Cohort Study With a Propensity-Matched Analysis.

Frontiers in medicine

Tassiopoulos AK, Mofakham S, Rubano JA, Labropoulos N, Bannazadeh M, Drakos P, Volteas P, Cleri NA, Alkadaa LN, Asencio AA, Oganov A, Hou W, Rutigliano DN, Singer AJ, Vosswinkel J, Talamini M, Mikell CB, Kaushansky K.
PMID: 33634153
Front Med (Lausanne). 2021 Feb 04;8:631335. doi: 10.3389/fmed.2021.631335. eCollection 2021.

No abstract available.

Acute Gastrointestinal Injury and Feeding Intolerance as Prognostic Factors in Critically Ill COVID-19 Patients.

Journal of gastrointestinal surgery : official journal of the Society for Surgery of the Alimentary Tract

Drakos P, Volteas P, Cleri NA, Alkadaa LN, Asencio AA, Oganov A, Pryor A, Talamini M, Rubano J, Bannazadeh M, Mikell CB, Spaniolas K, Mofakham S.
PMID: 33905039
J Gastrointest Surg. 2022 Jan;26(1):181-190. doi: 10.1007/s11605-021-05015-z. Epub 2021 Apr 27.

BACKGROUND: Although acute gastrointestinal injury (AGI) and feeding intolerance (FI) are known independent determinants of worse outcomes and high mortality in intensive care unit (ICU) patients, the incidence of AGI and FI in critically ill COVID-19 patients and their...

Showing 145 to 150 of 150 entries