Curioni A - Search Results

1

Improved coarse-grained model for molecular-dynamics simulations of water nucleation.

Zipoli F, Laino T, Stolz S, Martin E, Winkelmann C, Curioni A. Zipoli F, et al. Among authors: curioni a. J Chem Phys. 2013 Sep 7;139(9):094501. doi: 10.1063/1.4819136. J Chem Phys. 2013. PMID: 24028121

2

Modeling the impact of solid surfaces in thermal degradation processes.

Tuma C, Laino T, Martin E, Stolz S, Curioni A. Tuma C, et al. Among authors: curioni a. Chemphyschem. 2013 Jan 14;14(1):88-91. doi: 10.1002/cphc.201200921. Epub 2012 Nov 23. Chemphyschem. 2013. PMID: 23180393 No abstract available.

3

Reaction Dynamics of ATP Hydrolysis in Actin Determined by ab Initio Molecular Dynamics Simulations.

Freedman H, Laino T, Curioni A. Freedman H, et al. Among authors: curioni a. J Chem Theory Comput. 2012 Sep 11;8(9):3373-83. doi: 10.1021/ct3003282. Epub 2012 Aug 21. J Chem Theory Comput. 2012. PMID: 26605743

4

A revisited picture of the mechanism of glycerol dehydration.

Laino T, Tuma C, Curioni A, Jochnowitz E, Stolz S. Laino T, et al. Among authors: curioni a. J Phys Chem A. 2011 Apr 21;115(15):3592-5. doi: 10.1021/jp201078e. Epub 2011 Mar 31. J Phys Chem A. 2011. PMID: 21452849

5

Mechanisms of propylene glycol and triacetin pyrolysis.

Laino T, Tuma C, Moor P, Martin E, Stolz S, Curioni A. Laino T, et al. Among authors: curioni a. J Phys Chem A. 2012 May 10;116(18):4602-9. doi: 10.1021/jp300997d. Epub 2012 Apr 30. J Phys Chem A. 2012. PMID: 22512236

6

Semiempirical Molecular Dynamics (SEMD) I: Midpoint-Based Parallel Sparse Matrix-Matrix Multiplication Algorithm for Matrices with Decay.

Weber V, Laino T, Pozdneev A, Fedulova I, Curioni A. Weber V, et al. Among authors: curioni a. J Chem Theory Comput. 2015 Jul 14;11(7):3145-52. doi: 10.1021/acs.jctc.5b00382. Epub 2015 Jun 17. J Chem Theory Comput. 2015. PMID: 26575751

7

Molecular motion of amorphous silicone polymers.

Shemella PT, Laino T, Fritz O, Curioni A. Shemella PT, et al. Among authors: curioni a. J Phys Chem B. 2011 Mar 31;115(12):2831-5. doi: 10.1021/jp111318d. Epub 2011 Mar 3. J Phys Chem B. 2011. PMID: 21370843

8

Surface dynamics of amorphous polymers used for high-voltage insulators.

Shemella PT, Laino T, Fritz O, Curioni A. Shemella PT, et al. Among authors: curioni a. J Phys Chem B. 2011 Nov 24;115(46):13508-12. doi: 10.1021/jp207589p. Epub 2011 Oct 31. J Phys Chem B. 2011. PMID: 22026429

9

A new piece in the puzzle of lithium/air batteries: computational study on the chemical stability of propylene carbonate in the presence of lithium peroxide.

Laino T, Curioni A. Laino T, et al. Among authors: curioni a. Chemistry. 2012 Mar 19;18(12):3510-20. doi: 10.1002/chem.201103057. Epub 2012 Feb 22. Chemistry. 2012. PMID: 22354790

10

Understanding the self-healing hydrophobic recovery of high-voltage insulators.

Shemella PT, Laino T, Fritz O, Curioni A. Shemella PT, et al. Among authors: curioni a. J Phys Chem B. 2012 Jun 21;116(24):7351-6. doi: 10.1021/jp300786s. Epub 2012 Jun 6. J Phys Chem B. 2012. PMID: 22624664

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