Rapallo A - Search Results

1

Influence of the Ion Coordination Number on Cation Exchange Reactions with Copper Telluride Nanocrystals.

Tu R, Xie Y, Bertoni G, Lak A, Gaspari R, Rapallo A, Cavalli A, Trizio LD, Manna L. Tu R, et al. Among authors: rapallo a. J Am Chem Soc. 2016 Jun 8;138(22):7082-90. doi: 10.1021/jacs.6b02830. Epub 2016 May 25. J Am Chem Soc. 2016. PMID: 27177274 Free PMC article.

2

Formulation of improved basis sets for the study of polymer dynamics through diffusion theory methods.

Gaspari R, Rapallo A. Gaspari R, et al. Among authors: rapallo a. J Chem Phys. 2008 Jun 28;128(24):244109. doi: 10.1063/1.2936843. J Chem Phys. 2008. PMID: 18601319

3

Extended diffusion theory: Recovering dynamics from biased/accelerated molecular simulations.

Rapallo A, Gaspari R, Grasso G, Danani A. Rapallo A, et al. J Comput Chem. 2021 Apr 5;42(9):586-599. doi: 10.1002/jcc.26474. Epub 2020 Dec 22. J Comput Chem. 2021. PMID: 33351966

4

Potential energy constrained molecular dynamics simulations.

Rapallo A. Rapallo A. J Chem Phys. 2004 Sep 1;121(9):4033-42. doi: 10.1063/1.1776117. J Chem Phys. 2004. PMID: 15332948

5

Global optimization of bimetallic cluster structures. I. Size-mismatched Ag-Cu, Ag-Ni, and Au-Cu systems.

Rapallo A, Rossi G, Ferrando R, Fortunelli A, Curley BC, Lloyd LD, Tarbuck GM, Johnston RL. Rapallo A, et al. J Chem Phys. 2005 May 15;122(19):194308. doi: 10.1063/1.1898223. J Chem Phys. 2005. PMID: 16161574

6

VARICELLA: a variable-cell direct space method for structure determination from powder diffraction data.

Rapallo A. Rapallo A. J Chem Phys. 2009 Jul 28;131(4):044113. doi: 10.1063/1.3189290. J Chem Phys. 2009. PMID: 19655843

7

Global optimization of bimetallic cluster structures. II. Size-matched Ag-Pd, Ag-Au, and Pd-Pt systems.

Rossi G, Ferrando R, Rapallo A, Fortunelli A, Curley BC, Lloyd LD, Johnston RL. Rossi G, et al. Among authors: rapallo a. J Chem Phys. 2005 May 15;122(19):194309. doi: 10.1063/1.1898224. J Chem Phys. 2005. PMID: 16161575

8

Peptide dynamics by molecular dynamics simulation and diffusion theory method with improved basis sets.

Hsu PJ, Lai SK, Rapallo A. Hsu PJ, et al. Among authors: rapallo a. J Chem Phys. 2014 Mar 14;140(10):104910. doi: 10.1063/1.4867788. J Chem Phys. 2014. PMID: 24628208

9

Clusters in strong polyelectrolyte solutions in the condensation theory approach.

Perico A, Rapallo A. Perico A, et al. Among authors: rapallo a. J Chem Phys. 2011 Feb 7;134(5):055108. doi: 10.1063/1.3533276. J Chem Phys. 2011. PMID: 21303168

10

Fractional Extended Diffusion Theory to capture anomalous relaxation from biased/accelerated molecular simulations.

Rapallo A. Rapallo A. J Chem Phys. 2024 Feb 28;160(8):084114. doi: 10.1063/5.0189518. J Chem Phys. 2024. PMID: 38421066

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