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Showing 1 to 12 of 122 entries
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[Multistep prognosis in acute myocardial infarction using the PRIMA method (Pattern Recognition by Independent Multicategory Analysis)].

Orvosi hetilap

Mezey B, Juricskay I, Tóth K, Simor T, Jávor T.
PMID: 2183137
Orv Hetil. 1990 Apr 01;131(13):683-6, 689.

Authors analysed the possibilities of in-hospital prognosis made of patients with acute myocardial infarction by using information obtained during admission. Eighty eight patients with transmural myocardial infarction (not older than 70 years and the prehospital delay shorter than 24...

Application of a Dual-Hybrid Direct Random Phase Approximation to Water Clusters.

Journal of chemical theory and computation

Mezei PD, Ruzsinszky A, Csonka GI.
PMID: 27500940
J Chem Theory Comput. 2016 Sep 13;12(9):4222-32. doi: 10.1021/acs.jctc.6b00323. Epub 2016 Aug 29.

In water clusters, there is a delicate balance of van der Waals interactions and hydrogen bonds. Although semilocal and nonlocal density functional approximations have been recently routinely applied to water in various phases, the accurate description of hydrogen bonds...

Construction and application of a new dual-hybrid random phase approximation.

Journal of chemical theory and computation

Mezei PD, Csonka GI, Ruzsinszky A, Kállay M.
PMID: 26574252
J Chem Theory Comput. 2015 Oct 13;11(10):4615-26. doi: 10.1021/acs.jctc.5b00420. Epub 2015 Sep 11.

The direct random phase approximation (dRPA) combined with Kohn-Sham reference orbitals is among the most promising tools in computational chemistry and applicable in many areas of chemistry and physics. The reason for this is that it scales as N(4)...

Reference Determinant Dependence of the Random Phase Approximation in 3d Transition Metal Chemistry.

Journal of chemical theory and computation

Bates JE, Mezei PD, Csonka GI, Sun J, Ruzsinszky A.
PMID: 27996258
J Chem Theory Comput. 2017 Jan 10;13(1):100-109. doi: 10.1021/acs.jctc.6b00900. Epub 2016 Dec 20.

Without extensive fitting, accurate prediction of transition metal chemistry is a challenge for semilocal and hybrid density funcitonals. The Random Phase Approximation (RPA) has been shown to yield superior results to semilocal functionals for main group thermochemistry, but much...

On the Balance of Simplification and Reality in Molecular Modeling of the Electron Density.

Journal of chemical theory and computation

Warburton PL, Wang JL, Mezey PG.
PMID: 26620169
J Chem Theory Comput. 2008 Oct 14;4(10):1627-36. doi: 10.1021/ct800268c.

Fused-sphere (van der Waals) surfaces and their variants such as solvent accessible surfaces and molecular surfaces are simple molecular models that are commonly used for many diverse purposes across a broad range of scientific disciplines due to their low...

[Experimental valvulotomy with new device].

Orvosi hetilap

MEZEY J, BOGDAN J, PINTER I.
PMID: 13037345
Orv Hetil. 1952 Nov 30;93(48):1366-7.

No abstract available.

Predicted high-energy molecules: helical all-nitrogen and helical nitrogen-rich ring clusters.

The journal of physical chemistry. A

Wang L, Mezey PG.
PMID: 16833654
J Phys Chem A. 2005 Apr 14;109(14):3241-3. doi: 10.1021/jp044970a.

Helical all-nitrogen and nitrogen-rich ring clusters, new types of potential high-energy molecules, were investigated in the computational study reported here. Stable helical all-nitrogen clusters N26 and N46 and nitrogen-rich helical structure N26H16 formed by fused six-membered rings were found...

The degree of rotation independence of conjugation of S-N bonds.

The journal of physical chemistry. A

Wang L, Mezey PG.
PMID: 16834285
J Phys Chem A. 2005 Oct 06;109(39):8819-25. doi: 10.1021/jp052769+.

The electron delocalization in pi-electron systems is frequently described qualitatively by the concept of conjugation between formal double bonds separated by a formal single bond. In carbon compounds the optimum conjugation usually requires a rather strict, geometrical condition: the...

Helices of boron-nitrogen hexagons and decagons. A theoretical study.

The journal of physical chemistry. A

Szakacs CE, Mezey PG.
PMID: 18588275
J Phys Chem A. 2008 Jul 24;112(29):6783-7. doi: 10.1021/jp802722p. Epub 2008 Jun 28.

Ab initio self-consistent field molecular orbital and density functional theory calculations have been performed on a series of helical boron-nitrogen structures comprised of fused hexagons and larger polygons. The presence of an even number N of rings in the...

Targeting liposomes through immunoglobulin superfamily domains: P0 protein as a model.

Drug delivery

Foldvari M, Jaafari MR, Mezei M, Mezei C.
PMID: 19569984
Drug Deliv. 1998;5(3):183-95. doi: 10.3109/10717549809052034.

The objective of this study was to evaluate the potential of P(0) protein, a cell adhesion molecule from peripheral nerve myelin, as a targeting ligand for liposomes. To evaluate binding characteristics and identify possible binding domains, cell-interaction studies were...

Substituent effects and local molecular shape correlations.

Physical chemistry chemical physics : PCCP

Antal Z, Mezey PG.
PMID: 24584898
Phys Chem Chem Phys. 2014 Apr 14;16(14):6666-78. doi: 10.1039/c3cp55192j. Epub 2014 Mar 03.

Using a detailed electron density shape analysis methodology, a new method is proposed for studying the main components of substituent effects in a series of disubstituted benzenes, in correlation with their activating and deactivating characteristics as observed by the...

Increased Prevalence of Hypertension in Young Adults with High Heteroplasmy Levels of the MELAS m.3243A>G Mutation.

JIMD reports

Hannah-Shmouni F, Sirrs S, Mezei MM, Waters PJ, Mattman A.
PMID: 23846908
JIMD Rep. 2014;12:17-23. doi: 10.1007/8904_2013_239. Epub 2013 Jul 12.

BACKGROUND: The pathophysiology of hypertension in patients with mitochondrial diseases is different from that of the general population. Growing evidence exists linking mtDNA, its mutations, and mitochondrial dysfunction to the pathogenesis of hypertension. No reports on the prevalence of...

Showing 1 to 12 of 122 entries