Lorenzo Gontrani

Pubblicazioni

Titolo Pubblicato in Anno
X-ray and molecular dynamics studies of butylammonium butanoate-water binary mixtures PHYSICAL CHEMISTRY CHEMICAL PHYSICS 2017
Unexpected proton mobility in the bulk phase of cholinium-based ionic liquids: New insights from theoretical calculations PHYSICAL CHEMISTRY CHEMICAL PHYSICS 2017
Effect of alkyl chain length in protic ionic liquids: an AIMD perspective MOLECULAR PHYSICS 2017
Bio ionic liquids and water mixtures: a structural study RSC ADVANCES 2017
The opposite effect of water and N-methyl-2-pyrrolidone cosolvents on the nanostructural organization of ethylammoniumbutanoate ionic liquid: a small and wide angle X-ray scattering and molecular dynamics simulations study JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL 2017
A structural and theoretical study of the alkylammonium nitrates forefather: liquid methylammonium nitrate CHEMICAL PHYSICS LETTERS 2017
Inhomogeneity in ethylammonium nitrate–acetonitrile binary mixtures: the highest “Low q Excess” reported to date THE JOURNAL OF PHYSICAL CHEMISTRY LETTERS 2017
Intriguing transport dynamics of ethylammonium nitrate–acetonitrile binary mixtures arising from nano-inhomogeneity PHYSICAL CHEMISTRY CHEMICAL PHYSICS 2017
An X-ray and computational study of liquid pentylammonium nitrate CHEMICAL PHYSICS LETTERS 2017
To swell or to shrink? alkylammonium alkanoates plus molecular solvents. XXVI Congresso della Società chimica italiana 2017 2017
Sistema per la diffrazione da raggi-X (XRD) - Strutture di Liquidi da diffrazione a raggi X Book of abstract - I primi 5 anni del Laboratorio di Nanotecnologie e Nanoscienze del CNIS 2017
A joint experimental and computational study on ethylammonium nitrate-ethylene glycol 1:1 mixture. Structural, kinetic, dynamic and spectroscopic properties JOURNAL OF MOLECULAR LIQUIDS 2017
Water and hexane in an ionic liquid: computational evidence of association under high pressure PHYSICAL CHEMISTRY CHEMICAL PHYSICS 2017
Pressure-induced mesoscopic disorder in protic ionic liquids: first computational study PHYSICAL CHEMISTRY CHEMICAL PHYSICS 2016
Theoretical study of ionic liquids based on the cholinium cation. Ab initio simulations of their condensed phases THE JOURNAL OF CHEMICAL PHYSICS 2016
X‐Rays and Molecular Dynamics Reveal Halogen Bond in Liquid Acetonitriles II International Symposium on Halogen bonding abstract book 2016
Low-Q peak in X-ray patterns of choline-phenylalanine and homophenylalanine: a combined effect of chain and stacking CHEMICAL PHYSICS LETTERS 2016
Does high pressure induce structural reorganization in linear alcohols? A computational answer CHEMPHYSCHEM 2016
Nanoscale density fluctuations in ionic liquid binary mixtures with nonamphiphilic compounds: first experimental evidence JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL 2016
Structural and vibrational study of 2-MethoxyEthylAmmonium nitrate (2-OMeEAN): interpretation of experimental results with ab initio molecular dynamics THE JOURNAL OF CHEMICAL PHYSICS 2016

ERC

  • PE11_9
  • PE1_19
  • PE3_4
  • PE3_5
  • PE3_13
  • PE4_2
  • PE4_13
  • PE4_17
  • PE5_1
  • PE5_5
  • PE5_12
  • PE5_19

KET

  • Nanotecnologie
  • Advanced materials
  • Big data & computing
  • Sustainable technologies & development

Interessi di ricerca

 Chimica Inorganica, Chimica fisica, Calcoli MD e ab initio, DES/liquidi ionici, TD-DFT, Diffrazione di raggi X

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