Search filters

List of works by Enrico Bodo

A prototypical ionic liquid explored by ab initio molecular dynamics and Raman spectroscopy.

scientific article

Ab Initio Molecular Dynamics Study of Phospho-Amino Acid-Based Ionic Liquids: Formation of Zwitterionic Anions in the Presence of Acidic Side Chains

scientific article published on 02 March 2020

Ab initio quantum dynamics with very weak van der Waals interactions: Structure and stability of small Li2(1Sigmag+)-(He)n clusters

scientific article published on 01 May 2004

Amino Acid Oxidation: A Combined Study of Cysteine Oxo Forms by IRMPD Spectroscopy and Simulations.

scientific article

Amino acid anions in organic ionic compounds. An ab initio study of selected ion pairs.

scientific article published on 19 February 2014

An experimental and theoretical investigation of XPS and NEXAFS of 5-halouracils

scientific article published on 19 February 2018

Anion recognition by uranyl-salophen derivatives as probed by infrared multiple photon dissociation spectroscopy and ab initio modeling

scientific article

Bosonic helium droplets with cationic impurities: onset of electrostriction and snowball effects from quantum calculations

scientific article published on 01 March 2007

Charge exchange in collisions of beryllium with its ion

scientific article published on 29 July 2011

Chemical solutions in a quantum solvent: anionic electrolytes in 4He nanodroplets.

scientific article published in June 2008

Collisional quenching at ultralow energies: controlling efficiency with internal state selection

scientific article published on 01 December 2007

Collisional quenching of rotations in lithium dimers by ultracold helium: the Li2(a3Sigma u+) and Li2+(X2Sigma g+) targets

scientific article published on 01 December 2007

Computing a three-dimensional electronic energy manifold for the LiH + H <==> Li + H2 chemical reaction.

scientific article published on February 2009

Conformational Change in the Mechanism of Inclusion of Ketoprofen in β-Cyclodextrin: NMR Spectroscopy, Ab Initio Calculations, Molecular Dynamics Simulations, and Photoreactivity.

scientific article published on 30 September 2016

Conformational isomerisms and nano-aggregation in substituted alkylammonium nitrates ionic liquids: an x-ray and computational study of 2-methoxyethylammonium nitrate

scientific article published on 01 May 2013

Energetics and structures of charged helium clusters: comparing stabilities of dimer and trimer cationic cores

scientific article published on 01 December 2008

Experimental and Computational Investigation of Salophen-Zn Gas Phase Complexes with Cations: A Source of Possible Interference in Anionic Recognition.

scientific article published on 30 August 2017

Hydrogen Bonding Features in Cholinium-Based Protic Ionic Liquids from Molecular Dynamics Simulations

scientific article published on 12 February 2018

Hydrogen Bonding as a Clustering Agent in Protic Ionic Liquids: Like-Charge vs Opposite-Charge Dimer Formation

scientific article published on 05 September 2018

Interaction and dynamics of ionic liquids based on choline and amino acid anions

scientific article published on June 2015

Interaction of a long alkyl chain protic ionic liquid and water.

scientific article published in May 2014

Ionic dimers in He droplets: interaction potentials for Li2(+)-He,Na2(+)-He, and K2(+)-He and stability of the smaller clusters

scientific article published on 01 February 2006

Ionic reactions in He nanodroplets: the [LiHHe]+ complex and its possible energy pathways into products from ab initio calculations

scientific article published on 01 June 2005

Isotopic replacement in ionic systems: the 4He2+ + 3He-->3He 4He+ + 4He reaction.

scientific article

Lanthanum(III) and Lutetium(III) in Nitrate-Based Ionic Liquids: A Theoretical Study of Their Coordination Shell.

scientific article published on 25 August 2015

Microsolvation of Li(+) in Small He Clusters. Li(+)Hen Species from Classical and Quantum Calculations

scientific article published on 01 September 2005

Microsolvation of LiH+ in helium clusters: many-body effects and additivity models for the interaction forces

scientific article published on 01 May 2005

Microsolvation of cationic dimers in 4He droplets: geometries of A+2(He)N (A=Li, Na, K) from optimized energies.

scientific article published on 30 August 2007

Near resonance charge exchange in ion-atom collisions of lithium isotopes

scientific article published on 01 December 2009

Optical Behavior of Conjugated Pt-Containing Polymetallaynes Exposed to Gamma-Ray Radiation Doses

Photoinversion of sulfoxides as a source of diversity in dynamic combinatorial chemistry

scientific article published on 01 December 2010

Probing the competition among different coordination motifs in metal-ciprofloxacin complexes through IRMPD spectroscopy and DFT calculations.

scientific article published on 20 December 2012

Rotational quenching in ionic systems at ultracold temperatures

scientific article published on 26 December 2002

Silver nanoparticles linked by a Pt-containing organometallic dithiol bridge: study of local structure and interface by XAFS and SR-XPS

scientific article published in 2014

Size-dependent solvation of p-H(2) in (4)He clusters: a quantum Monte Carlo analysis.

scientific article published in March 2009

Solvation Properties of the Actinide Ion Th(IV) in DMSO and DMSO:Water Mixtures through Polarizable Molecular Dynamics

scientific article published on 11 September 2017

Solvent Structure around Lanthanoid(III) Ions in Liquid DMSO As Revealed by Polarizable Molecular Dynamics Simulations.

scientific article

Spin-driven structural effects in alkali doped (4)He clusters from quantum calculations

scientific article published on 01 June 2009

Structural Changes of Conjugated Pt-Containing Polymetallaynes Exposed to Gamma Ray Radiation Doses

Structural Features of Cholinium Based Protic Ionic Liquids through Molecular Dynamics

scientific article published on 24 June 2019

Structural Features of Triethylammonium Acetate through Molecular Dynamics

scientific article published on 21 March 2020

Structural Flexibility and Role of Vicinal 2-Thienyl Rings in 2,3-Dicyano-5,6-di(2-thienyl)-1,4-pyrazine, [(CN)2Th2Pyz], Its Palladium(II) Complex [(CN)2Th2Pyz(PdCl2)2], and the Related Pentametallic Pyrazinoporphyrazines [(PdCl2)4Th8TPyzPzM] (M = Mg

scientific article published on 31 October 2011

Structural properties of 1-alkyl-3-methylimidazolium bis{(trifluoromethyl)sulfonyl}amide ionic liquids: X-ray diffraction data and molecular dynamics simulations.

scientific article

Structural, energetic, and electronic properties of La(III)-dimethyl sulfoxide clusters.

scientific article published in December 2014

Structure of geminal imidazolium bis(trifluoromethylsulfonyl)imide dicationic ionic liquids: a theoretical study of the liquid phase

scientific article published on 18 November 2011

Structure of the molten salt methyl ammonium nitrate explored by experiments and theory

scientific article published on 21 October 2011

Structure, Stability, and Electronic Properties of Dimethyl Sulfoxide and Dimethyl Formammide Clusters Containing Th(4.).

scientific article

Synthesis of new 2-phosphono-alpha-D-glycoside derivatives by stereoselective oxa-Michael addition to a D-galacto derived enone.

scientific article published on 13 March 2008

The interpretation of diffraction patterns of two prototypical protic ionic liquids: a challenging task for classical molecular dynamics simulations.

scientific article published on 18 October 2012

Theoretical study of ionic liquids based on the cholinium cation. Ab initio simulations of their condensed phases

scientific article published on 01 March 2016

Ultra-Fast-VUV Photoemission Study of UV Excited 2-Nitrophenol

scientific article published on 08 February 2019

Unexpected proton mobility in the bulk phase of cholinium-based ionic liquids: new insights from theoretical calculations

scientific article published on 24 April 2017

Unravelling the structure of protic ionic liquids with theoretical and experimental methods: ethyl-, propyl- and butylammonium nitrate explored by Raman spectroscopy and DFT calculations

scientific article published on 16 November 2012

Vibrational cooling of spin-stretched dimer states by He buffer gas: Quantum calculations for Li2(aΣu+3) at ultralow energies

article

Vibrational signatures of curcumin’s chelation in copper(II) complexes: An appraisal by IRMPD spectroscopy

scientific article published on 01 April 2019

X-Ray absorption spectroscopy investigation of 1-alkyl-3-methylimidazolium bromide salts

scientific article published on 01 August 2011

Paulina is supported by:

About Paulina

Help