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Results: 1 to 20 of 25

1.

Stochastic atomistic simulation of polycyclic aromatic hydrocarbon growth in combustion.

Lai JY, Elvati P, Violi A.

Phys Chem Chem Phys. 2014 May 7;16(17):7969-79. doi: 10.1039/c4cp00112e.

PMID:
24647536
[PubMed - in process]
2.

Ab initio investigation of the thermal decomposition of n-butylcyclohexane.

Ali MA, Dillstrom VT, Lai JY, Violi A.

J Phys Chem A. 2014 Feb 13;118(6):1067-76. doi: 10.1021/jp4062384. Epub 2014 Feb 4.

PMID:
24344976
[PubMed - in process]
3.

Reaction pathways for the thermal decomposition of methyl butanoate.

Akbar Ali M, Violi A.

J Org Chem. 2013 Jun 21;78(12):5898-908. doi: 10.1021/jo400569d. Epub 2013 May 30.

PMID:
23679139
[PubMed]
4.

Age- and gender-related prevalence of multimorbidity in primary care: the Swiss FIRE project.

Rizza A, Kaplan V, Senn O, Rosemann T, Bhend H, Tandjung R; FIRE study group.

BMC Fam Pract. 2012 Nov 24;13:113. doi: 10.1186/1471-2296-13-113.

PMID:
23181753
[PubMed - indexed for MEDLINE]
Free PMC Article
5.

Free energy calculation of permeant-membrane interactions using molecular dynamics simulations.

Elvati P, Violi A.

Methods Mol Biol. 2012;926:189-202. doi: 10.1007/978-1-62703-002-1_14.

PMID:
22975966
[PubMed - indexed for MEDLINE]
6.

Mutual diffusion coefficients of heptane isomers in nitrogen: a molecular dynamics study.

Chae K, Violi A.

J Chem Phys. 2011 Jan 28;134(4):044537. doi: 10.1063/1.3512918.

PMID:
21280778
[PubMed]
7.

Effect of molecular configuration on binary diffusion coefficients of linear alkanes.

Chae K, Elvati P, Violi A.

J Phys Chem B. 2011 Jan 27;115(3):500-6. doi: 10.1021/jp109042q. Epub 2010 Dec 15.

PMID:
21158415
[PubMed]
8.

Pyrolytic hydrocarbon growth from cyclopentadiene.

Kim do H, Mulholland JA, Wang D, Violi A.

J Phys Chem A. 2010 Dec 2;114(47):12411-6. doi: 10.1021/jp106749k. Epub 2010 Nov 5.

PMID:
21050018
[PubMed]
9.

Simulation of nanoparticle permeation through a lipid membrane.

Fiedler SL, Violi A.

Biophys J. 2010 Jul 7;99(1):144-52. doi: 10.1016/j.bpj.2010.03.039.

PMID:
20655842
[PubMed - indexed for MEDLINE]
Free PMC Article
10.

Nucleation of fullerenes as a model for examining the formation of soot.

Chung SH, Violi A.

J Chem Phys. 2010 May 7;132(17):174502. doi: 10.1063/1.3345630.

PMID:
20459169
[PubMed]
11.

Order-disorder phase transformation of triacylglycerols: effect of the structure of the aliphatic chains.

Hsu WD, Violi A.

J Phys Chem B. 2009 Jan 29;113(4):887-93. doi: 10.1021/jp806440d.

PMID:
19123841
[PubMed]
12.

Kinetic modeling of methyl butanoate in shock tube.

Huynh LK, Lin KC, Violi A.

J Phys Chem A. 2008 Dec 25;112(51):13470-80. doi: 10.1021/jp804358r.

PMID:
19035670
[PubMed - indexed for MEDLINE]
13.

Molecular dynamics simulation study of a pulmonary surfactant film interacting with a carbonaceous nanoparticle.

Choe S, Chang R, Jeon J, Violi A.

Biophys J. 2008 Nov 1;95(9):4102-14. doi: 10.1529/biophysj.107.123976.

PMID:
18923102
[PubMed - indexed for MEDLINE]
Free PMC Article
14.

Kinetics study of the OH + alkene --> H2O + alkenyl reaction class.

Huynh LK, Barriger K, Violi A.

J Phys Chem A. 2008 Feb 21;112(7):1436-44. doi: 10.1021/jp077028i. Epub 2008 Jan 25.

PMID:
18217734
[PubMed - indexed for MEDLINE]
15.

Thermal decomposition of methyl butanoate: ab initio study of a biodiesel fuel surrogate.

Huynh LK, Violi A.

J Org Chem. 2008 Jan 4;73(1):94-101. Epub 2007 Dec 4.

PMID:
18052190
[PubMed - indexed for MEDLINE]
16.

Thermal decomposition of decalin: an ab initio study.

Chae K, Violi A.

J Org Chem. 2007 Apr 27;72(9):3179-85. Epub 2007 Mar 30.

PMID:
17394352
[PubMed]
17.

Radical-molecule reactions for aromatic growth: a case study for cyclopentadienyl and acenaphthylene.

Wang D, Violi A.

J Org Chem. 2006 Oct 27;71(22):8365-71.

PMID:
17064006
[PubMed - indexed for MEDLINE]
18.

Combustion-generated nanoparticles produced in a benzene flame: a multiscale approach.

Violi A, Venkatnathan A.

J Chem Phys. 2006 Aug 7;125(5):054302.

PMID:
16942208
[PubMed]
19.

Systematic coarse-graining of nanoparticle interactions in molecular dynamics simulation.

Izvekov S, Violi A, Voth GA.

J Phys Chem B. 2005 Sep 15;109(36):17019-24.

PMID:
16853168
[PubMed - indexed for MEDLINE]
20.

Cyclodehydrogenation reactions to cyclopentafused polycyclic aromatic hydrocarbons.

Violi A.

J Phys Chem A. 2005 Sep 1;109(34):7781-7.

PMID:
16834155
[PubMed]

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