Lista de obras - Stanislav Avdoshenko - Dominio Público Uruguay

A Multibox Splitting Scheme: Robust Approximation For ab Initio Molecular Dynamics

article

A parabolic model to control quantum interference in T-shaped molecular junctions ⬇️

artículo científico publicado el 5 de abril de 2013

Amorphous Carbon under 80 kV Electron Irradiation: A Means to Make or Break Graphene

artículo científico publicado en 2012

Bonding between strongly repulsive metal atoms: an oxymoron made real in a confined space of endohedral metallofullerenes

artículo científico publicado en 2012

Caught in Phase Transition: Snapshot of the Metallofullerene Sc<sub>3</sub>N@C<sub>70</sub> Rotation in the Crystal

scientific article published on 31 December 2020

Charge Migration in Organic Materials: Can Propagating Charges Affect the Key Physical Quantities Controlling Their Motion?

Charge migration through DNA molecules in the presence of mismatches

scholarly article in Physical Review B, vol. 82 no. 15, October 2010

Confining the spin between two metal atoms within the carbon cage: redox-active metal-metal bonds in dimetallofullerenes and their stable cation radicals

artículo científico publicado en 2017

Direct in situ observations of single Fe atom catalytic processes and anomalous diffusion at graphene edges

artículo científico publicado en 2014

Dynamic and electronic transport properties of DNA translocation through graphene nanopores

artículo científico publicado en 2013

Effect of the Diamagnetic Single-Crystalline Host on the Angular-Resolved Electron Nuclear Double Resonance Experiments: Case of Paramagnetic [nBu4N]2[Cu(opba)] Embedded in Diamagnetic [nBu4N]2[Ni(opba)]

artículo científico publicado en 2019

Electrochemical, ESR and theoretical studies of [6,6]-opened C60(CF2), cis-2-C60(CF2)2 and their anions

artículo científico publicado en 2008

Endohedral metal-nitride cluster ordering in metallofullerene–NiII(OEP) complexes and crystals: a theoretical study

scientific article published on 01 April 2019

Enhanced π-π interactions between a C60 fullerene and a buckle bend on a double-walled carbon nanotube

artículo científico publicado en 2010

Exploring the topography of the stress-modified energy landscapes of mechanosensitive molecules

artículo científico publicado en 2014

Finding mechanochemical pathways and barriers without transition state search

artículo científico publicado en 2015

Fullerene "superhalogen" radicals: the substituent effect on electronic properties of 1,7,11,24,27-C60X5.

artículo científico publicado en 2013

Fullerene faraday cage keeps magnetic properties of inner cluster pristine

artículo científico publicado en 2018

Fulleretic Well-Defined Scaffolds: Donor-Fullerene Alignment Through Metal Coordination and Its Effect on Photophysics

artículo científico publicado en 2016

Hierarchical Corannulene-Based Materials: Energy Transfer and Solid-State Photophysics

artículo científico publicado en 2017

High Blocking Temperature of Magnetization and Giant Coercivity in the Azafullerene Tb @C N with a Single-Electron Terbium-Terbium Bond

scientific article published on 27 March 2019

High-temperature emissivity of silica, zirconia and samaria from ab initio simulations: role of defects and disorder

In Search of Fullerene-Based Superacids: Synthesis, X-ray Structure, and DFT Study of C60(C2F5)5H

artículo científico publicado en 2011

Limit for thermal transport reduction in Si nanowires with nanoengineered corrugations

Magnetic hysteresis in self-assembled monolayers of Dy-fullerene single molecule magnets on gold

artículo científico publicado en 2018

Magnetism in Ln molecular systems with 4f/valence-shell interplay (FV-magnetism)

artículo científico publicado en 2019

Magnetization relaxation in the single-ion magnet DySc2N@C80: quantum tunneling, magnetic dilution, and unconventional temperature dependence.

artículo científico publicado en 2018

Mixed dysprosium-lanthanide nitride clusterfullerenes DyM2N@C80-Ih and Dy2MN@C80-Ih (M = Gd, Er, Tm, and Lu): synthesis, molecular structure, and quantum motion of the endohedral nitrogen atom

artículo científico publicado en 2019

Nanoscale ear drum: Graphene based nanoscale sensors

artículo científico publicado en 2012

Nanoscale x-ray investigation of magnetic metallofullerene peapods

artículo científico publicado en 2017

New trifluoromethylated derivatives of [60]fullerene, C60(CF3)n with n = 12 and 14

artículo científico publicado en 2007

Novel possibilities in the study of isolated carbon nanotubes

artículo científico publicado en 2008

On the calculation of internal forces in mechanically stressed polyatomic molecules

artículo científico publicado en 2014

Organic Zener Diodes: Tunneling across the Gap in Organic Semiconductor Materials

article

Organometallic Complexes of Graphene: Toward Atomic Spintronics Using a Graphene Web

artículo científico publicado en 2011

Prediction of quantum interference in molecular junctions using a parabolic diagram: Understanding the origin of Fano and anti- resonances

Preparation and structures of [6,6]-open difluoromethylene[60]fullerenes: C60(CF2) and C60(CF2)2

scientific article published on 01 December 2007

Preparation, crystallographic characterization and theoretical study of C70(CF3)16 and C70(CF3)18

artículo científico publicado en 2006

Preparation, crystallographic characterization and theoretical study of two isomers of C70(CF3)12.

artículo científico publicado en 2006

Reaction Coordinates and Pathways of Mechanochemical Transformations

artículo científico publicado en 2015

Record-high thermal barrier of the relaxation of magnetization in the nitride clusterfullerene Dy2ScN@C80-Ih

artículo científico publicado en 2017

Reply to "Comment on 'Reaction Coordinates and Pathways of Mechanochemical Transformations'".

artículo científico publicado en 2016

Reverse breakdown behavior in organic pin-diodes comprising C60 and pentacene: Experiment and theory

Selective arc-discharge synthesis of Dy2S-clusterfullerenes and their isomer-dependent single molecule magnetism

artículo científico publicado en 2017

Single molecule magnet with an unpaired electron trapped between two lanthanide ions inside a fullerene

artículo científico publicado en 2017

Single-Electron Lanthanide-Lanthanide Bonds Inside Fullerenes toward Robust Redox-Active Molecular Magnets

artículo científico publicado en 2019

Single-Molecule Magnets DyM2 N@C80 and Dy2 MN@C80 (M=Sc, Lu): The Impact of Diamagnetic Metals on Dy3+ Magnetic Anisotropy, Dy⋅⋅⋅Dy Coupling, and Mixing of Molecular and Lattice Vibrations

scientific article published on 06 February 2020

Smooth and Jump-like Metal-Dielectric Transitions in Single-Walled Carbon Nanotubes under Functionalization

artículo científico publicado en 2010

Spectroelectrochemical Approaches to Mechanistic Aspects of Charge Transport in meso-Nickel(II) Schiff Base Electrochromic Polymer

article published in 2017

Spin-reversal energy barriers of 305 K for Fe2+ d6 ions with linear ligand coordination

artículo científico publicado en 2017

Substrate-Independent Magnetic Bistability in Monolayers of the Single-Molecule Magnet Dy2 ScN@C80 on Metals and Insulators

artículo científico publicado en 2020

Synthesis and characterization of difluoromethylene-homo[60]fullerene, C60(CF2)

artículo científico publicado en 2006

The former “C60F16” is actually a double-caged adduct: (C60F16)(C60)

artículo científico publicado en 2006

Theoretical Study of Isomerization Mechanisms in Fluorinated Fullerene Derivatives

artículo científico publicado en 2009

Theoretical and computational validation of the Kuhn barrier friction mechanism in unfolded proteins

artículo científico publicado en 2017

π-Extended and Curved Antiaromatic Polycyclic Hydrocarbons.

artículo científico publicado en 2017

Lista de obras de Stanislav Avdoshenko

A Multibox Splitting Scheme: Robust Approximation For ab Initio Molecular Dynamics

A parabolic model to control quantum interference in T-shaped molecular junctions ⬇️

Amorphous Carbon under 80 kV Electron Irradiation: A Means to Make or Break Graphene

Bonding between strongly repulsive metal atoms: an oxymoron made real in a confined space of endohedral metallofullerenes

Caught in Phase Transition: Snapshot of the Metallofullerene Sc<sub>3</sub>N@C<sub>70</sub> Rotation in the Crystal

Charge Migration in Organic Materials: Can Propagating Charges Affect the Key Physical Quantities Controlling Their Motion?

Charge migration through DNA molecules in the presence of mismatches

Confining the spin between two metal atoms within the carbon cage: redox-active metal-metal bonds in dimetallofullerenes and their stable cation radicals

Direct in situ observations of single Fe atom catalytic processes and anomalous diffusion at graphene edges

Dynamic and electronic transport properties of DNA translocation through graphene nanopores

Effect of the Diamagnetic Single-Crystalline Host on the Angular-Resolved Electron Nuclear Double Resonance Experiments: Case of Paramagnetic [nBu4N]2[Cu(opba)] Embedded in Diamagnetic [nBu4N]2[Ni(opba)]

Electrochemical, ESR and theoretical studies of [6,6]-opened C60(CF2), cis-2-C60(CF2)2 and their anions

Endohedral metal-nitride cluster ordering in metallofullerene–NiII(OEP) complexes and crystals: a theoretical study

Enhanced π-π interactions between a C60 fullerene and a buckle bend on a double-walled carbon nanotube

Exploring the topography of the stress-modified energy landscapes of mechanosensitive molecules

Finding mechanochemical pathways and barriers without transition state search

Fullerene "superhalogen" radicals: the substituent effect on electronic properties of 1,7,11,24,27-C60X5.

Fullerene faraday cage keeps magnetic properties of inner cluster pristine

Fulleretic Well-Defined Scaffolds: Donor-Fullerene Alignment Through Metal Coordination and Its Effect on Photophysics

Hierarchical Corannulene-Based Materials: Energy Transfer and Solid-State Photophysics

High Blocking Temperature of Magnetization and Giant Coercivity in the Azafullerene Tb @C N with a Single-Electron Terbium-Terbium Bond

High-temperature emissivity of silica, zirconia and samaria from ab initio simulations: role of defects and disorder

In Search of Fullerene-Based Superacids: Synthesis, X-ray Structure, and DFT Study of C60(C2F5)5H

Limit for thermal transport reduction in Si nanowires with nanoengineered corrugations

Magnetic hysteresis in self-assembled monolayers of Dy-fullerene single molecule magnets on gold

Magnetism in Ln molecular systems with 4f/valence-shell interplay (FV-magnetism)

Magnetization relaxation in the single-ion magnet DySc2N@C80: quantum tunneling, magnetic dilution, and unconventional temperature dependence.

Mixed dysprosium-lanthanide nitride clusterfullerenes DyM2N@C80-Ih and Dy2MN@C80-Ih (M = Gd, Er, Tm, and Lu): synthesis, molecular structure, and quantum motion of the endohedral nitrogen atom

Nanoscale ear drum: Graphene based nanoscale sensors

Nanoscale x-ray investigation of magnetic metallofullerene peapods

New trifluoromethylated derivatives of [60]fullerene, C60(CF3)n with n = 12 and 14

Novel possibilities in the study of isolated carbon nanotubes

On the calculation of internal forces in mechanically stressed polyatomic molecules

Organic Zener Diodes: Tunneling across the Gap in Organic Semiconductor Materials

Organometallic Complexes of Graphene: Toward Atomic Spintronics Using a Graphene Web

Prediction of quantum interference in molecular junctions using a parabolic diagram: Understanding the origin of Fano and anti- resonances

Preparation and structures of [6,6]-open difluoromethylene[60]fullerenes: C60(CF2) and C60(CF2)2

Preparation, crystallographic characterization and theoretical study of C70(CF3)16 and C70(CF3)18

Preparation, crystallographic characterization and theoretical study of two isomers of C70(CF3)12.

Reaction Coordinates and Pathways of Mechanochemical Transformations

Record-high thermal barrier of the relaxation of magnetization in the nitride clusterfullerene Dy2ScN@C80-Ih

Reply to "Comment on 'Reaction Coordinates and Pathways of Mechanochemical Transformations'".

Reverse breakdown behavior in organic pin-diodes comprising C60 and pentacene: Experiment and theory

Selective arc-discharge synthesis of Dy2S-clusterfullerenes and their isomer-dependent single molecule magnetism

Single molecule magnet with an unpaired electron trapped between two lanthanide ions inside a fullerene

Single-Electron Lanthanide-Lanthanide Bonds Inside Fullerenes toward Robust Redox-Active Molecular Magnets

Single-Molecule Magnets DyM2 N@C80 and Dy2 MN@C80 (M=Sc, Lu): The Impact of Diamagnetic Metals on Dy3+ Magnetic Anisotropy, Dy⋅⋅⋅Dy Coupling, and Mixing of Molecular and Lattice Vibrations

Smooth and Jump-like Metal-Dielectric Transitions in Single-Walled Carbon Nanotubes under Functionalization

Spectroelectrochemical Approaches to Mechanistic Aspects of Charge Transport in meso-Nickel(II) Schiff Base Electrochromic Polymer

Spin-reversal energy barriers of 305 K for Fe2+ d6 ions with linear ligand coordination

Substrate-Independent Magnetic Bistability in Monolayers of the Single-Molecule Magnet Dy2 ScN@C80 on Metals and Insulators

Synthesis and characterization of difluoromethylene-homo[60]fullerene, C60(CF2)

The former “C60F16” is actually a double-caged adduct: (C60F16)(C60)

Theoretical Study of Isomerization Mechanisms in Fluorinated Fullerene Derivatives

Theoretical and computational validation of the Kuhn barrier friction mechanism in unfolded proteins

π-Extended and Curved Antiaromatic Polycyclic Hydrocarbons.