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Items: 1 to 20 of 95

1.

Effects of correlated parameters and uncertainty in electronic-structure-based chemical kinetic modelling.

Sutton JE, Guo W, Katsoulakis MA, Vlachos DG.

Nat Chem. 2016 Apr;8(4):331-7. doi: 10.1038/nchem.2454. Epub 2016 Feb 22.

PMID:
27001728
2.

Stochastic averaging and sensitivity analysis for two scale reaction networks.

Hashemi A, Núñez M, Plecháč P, Vlachos DG.

J Chem Phys. 2016 Feb 21;144(7):074104. doi: 10.1063/1.4942008.

PMID:
26896973
3.

Nickel supported on nitrogen-doped carbon nanotubes as hydrogen oxidation reaction catalyst in alkaline electrolyte.

Zhuang Z, Giles SA, Zheng J, Jenness GR, Caratzoulas S, Vlachos DG, Yan Y.

Nat Commun. 2016 Jan 14;7:10141. doi: 10.1038/ncomms10141.

4.

Patched bimetallic surfaces are active catalysts for ammonia decomposition.

Guo W, Vlachos DG.

Nat Commun. 2015 Oct 7;6:8619. doi: 10.1038/ncomms9619.

5.

Liquid-Phase Catalytic Transfer Hydrogenation of Furfural over Homogeneous Lewis Acid-Ru/C Catalysts.

Panagiotopoulou P, Martin N, Vlachos DG.

ChemSusChem. 2015 Jun 22;8(12):2046-54. doi: 10.1002/cssc.201500212. Epub 2015 May 26.

PMID:
26013846
6.

Steady state likelihood ratio sensitivity analysis for stiff kinetic Monte Carlo simulations.

Núñez M, Vlachos DG.

J Chem Phys. 2015 Jan 28;142(4):044108. doi: 10.1063/1.4905957.

PMID:
25637970
7.

Mechanism of Brønsted acid-catalyzed glucose dehydration.

Yang L, Tsilomelekis G, Caratzoulas S, Vlachos DG.

ChemSusChem. 2015 Apr 24;8(8):1334-41. doi: 10.1002/cssc.201403264. Epub 2015 Jan 8.

PMID:
25572774
8.

Guaiacol hydrodeoxygenation mechanism on Pt(111): insights from density functional theory and linear free energy relations.

Lee K, Gu GH, Mullen CA, Boateng AA, Vlachos DG.

ChemSusChem. 2015 Jan;8(2):315-22. doi: 10.1002/cssc.201402940. Epub 2014 Dec 2.

PMID:
25470789
9.

Solvent-induced frequency shifts of 5-hydroxymethylfurfural deduced via infrared spectroscopy and ab initio calculations.

Josephson TR, Tsilomelekis G, Bagia C, Nikolakis V, Vlachos DG, Caratzoulas S.

J Phys Chem A. 2014 Dec 26;118(51):12149-60. doi: 10.1021/jp508340p. Epub 2014 Dec 11.

PMID:
25437094
10.

Insights into the Cr(III) catalyzed isomerization mechanism of glucose to fructose in the presence of water using ab initio molecular dynamics.

Mushrif SH, Varghese JJ, Vlachos DG.

Phys Chem Chem Phys. 2014 Sep 28;16(36):19564-72. doi: 10.1039/c4cp02095b.

PMID:
25105840
11.

Analgesic options for placement of an intrauterine contraceptive: a meta-analysis.

Pergialiotis V, Vlachos DG, Protopappas A, Vlachos GD.

Eur J Contracept Reprod Health Care. 2014 Jun;19(3):149-60. doi: 10.3109/13625187.2014.903238. Epub 2014 May 14. Review.

PMID:
24828514
12.

Double versus single cervical cerclage for the prevention of preterm births.

Pergialiotis V, Vlachos DG, Prodromidou A, Perrea D, Gkioka E, Vlachos GD.

J Matern Fetal Neonatal Med. 2015 Mar;28(4):379-85. doi: 10.3109/14767058.2014.921676. Epub 2014 May 29. Review.

PMID:
24803126
13.

The effect of vaginal lubrication on unsatisfactory results of cervical smears.

Pergialiotis V, Vlachos DG, Rodolakis A, Thomakos N, Christakis D, Vlachos GD.

J Low Genit Tract Dis. 2015 Jan;19(1):55-61. doi: 10.1097/LGT.0000000000000037. Review.

PMID:
24769651
14.

First versus second stage C/S maternal and neonatal morbidity: a systematic review and meta-analysis.

Pergialiotis V, Vlachos DG, Rodolakis A, Haidopoulos D, Thomakos N, Vlachos GD.

Eur J Obstet Gynecol Reprod Biol. 2014 Apr;175:15-24. doi: 10.1016/j.ejogrb.2013.12.033. Epub 2014 Jan 3. Review.

PMID:
24447469
15.

On factors controlling activity of submonolayer bimetallic catalysts: nitrogen desorption.

Guo W, Vlachos DG.

J Chem Phys. 2014 Jan 7;140(1):014703. doi: 10.1063/1.4855235.

PMID:
24410233
16.

Parametric sensitivity analysis for biochemical reaction networks based on pathwise information theory.

Pantazis Y, Katsoulakis MA, Vlachos DG.

BMC Bioinformatics. 2013 Oct 22;14:311. doi: 10.1186/1471-2105-14-311.

17.

Adsorption of HMF from water/DMSO solutions onto hydrophobic zeolites: experiment and simulation.

Xiong R, León M, Nikolakis V, Sandler SI, Vlachos DG.

ChemSusChem. 2014 Jan;7(1):236-44. doi: 10.1002/cssc.201300408. Epub 2013 Sep 18.

PMID:
24106213
18.

Comparison of homogeneous and heterogeneous catalysts for glucose-to-fructose isomerization in aqueous media.

Choudhary V, Pinar AB, Lobo RF, Vlachos DG, Sandler SI.

ChemSusChem. 2013 Dec;6(12):2369-76. doi: 10.1002/cssc.201300328. Epub 2013 Sep 17.

PMID:
24106178
19.

On the Brønsted acid-catalyzed homogeneous hydrolysis of furans.

Nikbin N, Caratzoulas S, Vlachos DG.

ChemSusChem. 2013 Nov;6(11):2066-8. doi: 10.1002/cssc.201300432. Epub 2013 Sep 4.

PMID:
24006230
20.

Production of dimethylfuran from hydroxymethylfurfural through catalytic transfer hydrogenation with ruthenium supported on carbon.

Jae J, Zheng W, Lobo RF, Vlachos DG.

ChemSusChem. 2013 Jul;6(7):1158-62. doi: 10.1002/cssc.201300288. Epub 2013 Jun 10.

PMID:
23754805
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