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Lista de obras de Francesco Zerbetto

13C NMR Patterns of Odd-Numbered C119Fullerenes

article published in 2000

A Carbon Nano-Onion-Ferrocene Donor-Acceptor System: Synthesis, Characterization and Properties

artículo científico publicado en 2009

A Density Functional Study of the Vibrations of Three Oligomers of Thiophene

article

A RNA-based nanodevice recording temperature over time

A Simple Road for the Transformation of Few-Layer Graphene into MWNTs

artículo científico publicado en 2012

A Tight-Binding Treatment for13C NMR Spectra of Fullerenes

A Woodward−Hoffmann Approach to the C60Cluster Opening Leading to Homo[60]fullerenes

A computational analysis of the insertion of carbon nanotubes into cellular membranes

article

A generalized Stone - Wales map: energetics and isomerizations of carbon cages

article by D Mitchell et al published 14 November 1996 in Journal of Physics B

A generic basis for some simple light-operated mechanical molecular machines

artículo científico publicado en 2004

A molecular dynamics investigation of structure and dynamics of SDS and SDBS micelles

article

A quantum-mechanical description of macrocyclic ring rotation in benzylic amide

artículo científico publicado en 2001

A strongly emitting liquid-crystalline derivative of Y(3)N@C(80): bright and long-lived near-IR luminescence from a charge transfer state

artículo científico publicado en 2013

A study of the large amplitude motions of indoline through microwave spectroscopy andab initiocalculations

Ab initio scaling of the second hyperpolarizabilities of carbon cages

article by Marianna Fanti et al published October 1997 in Journal of Chemical Physics

Adsorption of Fumaramide [2]Rotaxane and Its Components on a Solid Substrate: A Coverage-Dependent Study

scientific article published on 01 August 2006

Adsorption of Organic Molecules on Gold Electrodes

article

Adsorption of a Benzylic Amide Macrocycle on a Solid Substrate: XPS and HREELS Characterization of Thin Films Grown on Au(111)

article published in 2002

Amyloid-β fibril disruption by C60-molecular guidance for rational drug design

artículo científico publicado en 2012

An Instanton approach to hindered torsions: methyl glycolate — a case study

An experimentally observed trimetallofullerene Sm3@I(h)-C80: encapsulation of three metal atoms in a cage without a nonmetallic mediator

artículo científico publicado en 2013

An introduction to bubble dynamics

article

Analysis of the Raman Spectra of A3C60 and A6C60

artículo científico publicado en 1993

Analysis of the vibronic structure of the 1A1g → 1B3g, 1B2u transition in biphenyl -h10 and -d10

And Yet it Moves! Microfluidics Without Channels and Troughs

Annealing graphite-like structures. A Monte Carlo-quantum chemical study

Application of the Poisson-Nernst-Planck theory with space-dependent diffusion coefficients to KcsA.

artículo científico publicado en 2006

Are two-station biased random walkers always potential molecular motors?

artículo científico publicado en 2014

Aromatic Bromination of N-Phenylacetamide Inside CNTs. Are CNTs Real Nanoreactors Controlling Regioselectivity and Kinetics? A QM/MM Investigation

Assignment and vibrational analysis of the 600 nm absorption band in the phenoxyl radical and some of its derivatives

Asymmetric Indolylmaleimide Derivatives and Their Complexation with Zinc(II)−Cyclen

artículo científico publicado en 2005

Atomistic Simulation of “Drop-on-Demand” Inkjet Dynamics

Atomistic molecular dynamics simulations reveal insights into adsorption, packing, and fluxes of molecules with carbon nanotubes

article

Automerization of s-cis butadiene

Baiting proteins with C60.

artículo científico publicado en 2010

Blocking the Passage: C60 Geometrically Clogs K+ Channels

Branched Substituents Generate Improved Supramolecular Ordering in Physisorbed Molecular Assemblies

C36, a hexavalent building block for fullerene compounds and solids

C36: The Best Fullerene for Covalent Bonding

article published in 1999

C60 on gold: adsorption, motion, and viscosity

C60@Lysozyme: direct observation by nuclear magnetic resonance of a 1:1 fullerene protein adduct

artículo científico publicado en 2014

C62: Theoretical Evidence for a Nonclassical Fullerene with a Heptagonal Ring

article

C70Ph8 and C70Ph10: A computational and solid solution spectroscopic study

Cadiot–Chodkiewicz Active Template Synthesis of Rotaxanes and Switchable Molecular Shuttles with Weak Intercomponent Interactions ⬇️

artículo científico publicado en 2008

Calcite Single Crystals as Hosts for Atomic-Scale Entrapment and Slow Release of Drugs

artículo científico publicado en 2015

Carbon Nanotubes in Electron Donor−Acceptor Nanocomposites

artículo científico publicado en 2005

Carbon Rings Snapping

artículo científico publicado en 1999

Changes of the Molecular Structure in Organic Thin Film Transistors during Operation

article

Charge-density oscillation on graphite induced by the interference of electron waves

scholarly article in Physical Review B, vol. 71 no. 15, April 2005

Charge-metal interaction of a carbon nanotube

Charging and equilibration of fullerene isomers

Circumstellar carbon chain molecules: A density function theory study of CnO, n=3–9

Circumstellar carbon-chain molecules. Prediction of the infrared spectrum of SiC4

Cl(−) Exchange SN2 Reaction inside Carbon Nanotubes: C–H···π and Cl···π Interactions Govern the Course of the Reaction

Clay-fulleropyrrolidine nanocomposites

artículo científico publicado en 2006

Common force field thermodynamics of cholesterol

Comparison of synchronous and asynchronous hydrogen transfer mechanisms in free-base porphyrins

Competition between Even and Odd Fullerenes: C118, C119, and C120

article

Conformation Diversity of a Fused-Ring Pyrazine Derivative on Au(111) and Highly Ordered Pyrolytic Graphite

article

Conformational Selection and Folding-upon-binding of Intrinsically Disordered Protein CP12 Regulate Photosynthetic Enzymes Assembly

artículo científico publicado en 2012

Conformational Self-Recognition as the Origin of Dewetting in Bistable Molecular Surfaces

Continuous Chirality Measure in Reaction Pathways of Ruthenium-Catalyzed Transfer Hydrogenation of Ketones

Controlled Hydrogen-Bond Breaking in a Rotaxane by Discrete Solvation

scientific article published on 01 May 2010

Controlling the Frequency of Macrocyclic Ring Rotation in Benzylic Amide [2]Catenanes

article

Correlation between the frequency of the Franck-Condon active CC ag stretch vibration and the excitation energy of the 1Bu electronic state in polyenes

article

Crossover of two power laws in the anomalous diffusion of a two lipid membrane

Customizing properties of β-chitin in squid pen (gladius) by chemical treatments

artículo científico publicado en 2014

Cyclic voltammetry and bulk electronic properties of soluble carbon nanotubes

artículo científico publicado en 2004

Directly Observing Micelle Fusion and Growth in Solution by Liquid-Cell Transmission Electron Microscopy.

artículo científico publicado en 2017

Double-wall carbon nanotubes: The outer shell may pattern the structure of the inner one

Driving Force for the Adsorption of Sexithiophene on Gold

Dual-Gate Organic Field-Effect Transistors as Potentiometric Sensors in Aqueous Solution

article

Dynamic Self-Organization and Catalysis: Periodic versus Random Driving Forces

Dynamics of a lipid bilayer induced by electric fields

article

Dynamics of carbon clusters: chemical equilibration of rings and bi-cyclic rings

Dynamics of molecular inversion: An instanton approach

Dynamics of molecular self-ordering in tetraphenyl porphyrin monolayers on metallic substrates.

artículo científico publicado en 2009

Dynamics of thiolate chains on a gold nanoparticle

article

Effect of potassium intercalation on the electronic and vibrational properties of benzylic amide [2]catenane films

article

Effects of electric field stress on a beta-amyloid peptide

article

Ejection Dynamics of a Simple Liquid from Individual Carbon Nanotube Nozzles

artículo científico publicado en 2006

Electric Field Effects on Short Fibrils of Aβ Amyloid Peptides

artículo científico publicado en 2010

Electric-field perturbations of ring currents in π systems

Electrochemical Fabrication of Surface Chemical Gradients in Thiol Self-Assembled Monolayers with Tailored Work-Functions

article published in 2014

Electrochemical Monitoring of Valence Bond Isomers Interconversion in Bipyridyl-C61 Anions

artículo científico publicado en 1995

Electrochemically Induced Dynamics of a Benzylic Amide [2]Catenane

article

Electron Dynamics with Explicit-Time Density Functional Theory of the [4+2] Diels-Alder Reaction

artículo científico publicado en 2020

Electronic Absorption Spectra of Some Alkoxyl Radicals. An Experimental and Theoretical Study

scientific article published in 1995

Electronic Structure of Carbon Nanotubes with Ultrahigh Curvature

scientific article published on 01 August 2010

Electronic and mechanical coupling between guest and host in carbon peapods

scholarly article in Physical Review B, vol. 69 no. 3, January 2004

Electronic structure and radial breathing mode for carbon nanotubes with ultra-high curvature

Enantiomeric excesses and electronic chirality measure

artículo científico publicado en 2003

Energetics and isomerisation pathways of a lower fullerene. The Stone–Wales map for C40

article by P. W. Fowler et al published 1995 in Journal of the Chemical Society, Faraday Transactions

Energetics of C20and C22Fullerene and Near-Fullerene Carbon Cages

Energetics of Fullerenes with Four-Membered Rings

Energetics of Fullerenes with Octagonal Rings

Energetics of fullerenes with heptagonal rings

articulo cientifico

Engineering molecular chains in carbon nanotubes

article

Entropy-Driven Translational Isomerism: A Tristable Molecular Shuttle

scientific article published on 01 January 2003

Evidence for ring spinning in rotaxanes induced with an alternate electric field

Evidence of Stringlike Behavior inall-trans-Octatetraene

article

Excitation Energy Transfer and Low-Efficiency Photolytic Splitting of Water Ice by Vacuum UV Light

Excited and ionic states of formamide: An excited-state photoelectron spectroscopy and ab initio study

Experimental and Theoretical Study of the Infrared, Raman, and Electronic Spectra of Two Isomers of C78ofC2vSymmetry

Experimental and theoretical studies of the low-lying electronic states of the simplest benzylic amide [2]catenane

Experimental and theoretical study of the adsorption of fumaramide [2]rotaxane on Au(111) and Ag(111) surfaces

artículo científico publicado en 2005

Explaining fullerene dispersion by using micellar solutions

artículo científico publicado en 2014

Extremely Strong and Readily Accessible AAA−DDD Triple Hydrogen Bond Complexes

artículo científico publicado en 2007

FT-Raman characterization of the antipodal bis-adduct of C60 and anthracene

Fast Calculation of Electrostatic Potentials on the GPU or the ASIC MD-GRAPE-3

Fast photodynamics of azobenzene probed by scanning excited-state potential energy surfaces using slow spectroscopy

artículo científico publicado en 2015

Favorable entropy of aromatic clusters in thermophilic proteins

artículo científico publicado en 2005

Franck-Condon Modeling of the Structure of the 1Ag-1Bu Electronic Transition of .alpha.,.omega. Diphenylpolyenes

article published in 1995

Franck-Condon activity of totally symmetric modes in trans- and cis-polyacetylenes

Franck–Condon modeling of the structure of the S0→S2 transition of trans, trans‐, cis, trans‐, and cis, cis‐octatetraene

Franck–Condon structure of the S0→S1 and S0→S2 transitions in norbornadiene

Franck—Codon activity of totally symmetric modes in the absorption spectrum of cyclopentadiene

Frequency-Dependent Second-Order Hyperpolarizability of Carbon Clusters: A Semiempirical Investigation

article by Marianna Fanti et al published June 1995 in Journal of the American Chemical Society

From reactants to products via simple hydrogen-bonding networks: Information transmission in chemical reactions

artículo científico publicado en 2002

Fullerene sorting proteins ⬇️

artículo científico publicado el 28 de marzo de 2011

Fullerenol entrapment in calcite microspheres

Functionalization Pattern of Graphene Oxide Sheets Controls Entry or Produces Lipid Turmoil in Phospholipid Membranes

artículo científico publicado en 2018

GPU-accelerated computation of electron transfer

artículo científico publicado en 2012

Graphene Oxide Promotes Site-Selective Allylic Alkylation of Thiophenes with Alcohols

artículo científico publicado en 2018

Graphene can wreak havoc with cell membranes

Graphite Oxide and Aromatic Amines: Size Matters

Growth and characterization of benzylic amide [2]catenane thin films

Growth of p- and n-dopable films from electrochemically generated C60 cations.

artículo científico publicado en 2008

Guest dynamics in endohedrally doped fullerenes

article

High-Frequency Vibrations of the Simplest Benzylic Amide [2]Catenane

article

How Do Benzylic Amide [2]Catenane Rings Rotate?

artículo científico publicado en 1999

Hydroxyl vacancies in single-walled aluminosilicate and aluminogermanate nanotubes

artículo científico publicado en 2009

Imaging, photophysical properties and DFT calculations of manganese blue (barium manganate(VI) sulphate)--a modern pigment

artículo científico

In Silico Carborane Docking to Proteins and Potential Drug Targets ⬇️

artículo científico publicado el 8 de agosto de 2011

In situ nanomechanical characterization of the early stages of swelling and degradation of a biodegradable polymer

artículo científico publicado en 2015

Incorporation of fullerene derivatives into smectite clays: a new family of organic-inorganic nanocomposites

artículo científico publicado en 2004

Increasing cost of pentagon adjacency for larger fullerenes

Inelastic neutron scattering of large molecular systems: The case of the original benzylic amide [2]catenane

article

Inelastic neutron-scattering study of the intramolecular vibrations of the C70 fullerene

Information storage using supramolecular surface patterns

artículo científico publicado en 2003

Infrared fingerprints of nine fullerene C82 isomers: a semiempirical prediction

Inside Cover: Conformation Diversity of a Fused-Ring Pyrazine Derivative on Au(111) and Highly Ordered Pyrolytic Graphite (Chem. Asian J. 6/2015)

article

Interaction model for the adsorption of organic molecules on the silver surface

article

Interactions in Single Wall Carbon Nanotubes/Pyrene/Porphyrin Nanohybrids

scientific article published on 01 August 2006

Interactions in concentric carbon nanotubes: the radius vs the chirality angle contributions

article

Interactions of aromatic heterocycles with water: the driving force from free-jet rotational spectroscopy and model electrostatic calculations

artículo científico publicado en 2008

Intercage dynamics of C60 in doped crystals

article

Intermolecular repulsion through interfacial attraction: toward engineering of polymorphs

artículo científico publicado en 2009

Internal dynamics and energy transfer in dansylated POPAM dendrimers and their eosin complexes

artículo científico publicado en 2010

Interpretation of the vibrational structure of the emission and absorption spectra of C60

Intraresidue distribution of energy in proteins

artículo científico publicado en 2005

Introducing temperature dependence in an enhanced Poisson–Boltzmann approach

Inversion of the dioxolanyl radical: an experimental and theoretical study

article

Inversion of the oxiranyl radical occurs by quantum-mechanical tunneling

artículo científico publicado en 1988

Inversion potentials in the ground and excited electronic states of 9,10‐dihydroanthracene as probed by the absorption and fluorescence spectra of jet‐cooled molecules

Isomers of C70Dimer

Kinetics of Place-Exchange Reactions of Thiols on Gold Nanoparticles

Large Enhancement of the Nonlinear Optical Response of Reduced Fullerene Derivatives

artículo científico publicado en 2003

Laws of thermal diffusion of individual molecules on the gold surface

Life's Ratchet. How Molecular Machines Extract Order from Chaos. By Peter M. Hoffmann

Light-induced oxygen incision of C60

artículo científico publicado en 1993

Local density functional theory calculation of the in-plane force field and vibrational frequencies of conjugated molecules: benzene and octatetraene

Local ice melting by an antifreeze protein

Low-lying electronic excited states of Buckminsterfullerene anions

artículo científico publicado en 1992

Macroscopic transport by synthetic molecular machines.

artículo científico publicado en 2005

Mechanical Interactions in All-Carbon Peapods

Mechanochemistry: targeted delivery of single molecules

artículo científico publicado en 2006

Microwave spectrum and ab initio calculations of indazole

Modeling Buckminsterfullerene Spinning in (C60)nClusters

artículo científico publicado en 1999

Modeling Living Cells Response to Surface Tension and Chemical Patterns.

artículo científico publicado en 2017

Modeling of the Franck-Condon Structure of the Electronic Transitions of an Oligomer of Polydiacetylene

Modeling the Adsorption of Alkanes on an Au(111) Surface

Modeling the Spectroscopy of the Lowest Excited Singlet State ofcis,trans-1,3,5,7-Octatetraene: The Role of Symmetry Breaking and Vibronic Interactions

Modeling the stability and the motion of DNA nucleobases on the gold surface

article

Modelling of the adsorption of C60 on the Au(110) surface

Modulating Charge-Transfer Interactions in Topologically Different Porphyrin–C60 Dyads

Modulation of the reduction potentials of fullerene derivatives

artículo científico publicado en 2003

Molecular Structure of Stilbene in the T1 State. Transient Resonance Raman Spectra of Stilbene Isotopomers and Quantum Chemical Calculations

Molecular dynamics of a dendrimer-dye guest-host system

artículo científico publicado en 2003

Molecular dynamics of nanobubbles' collapse in ionic solutions

article

Molecular dynamics study of onset of water gelation around the collagen triple helix

article

Molecular mechanism of water bridge buildup: field-induced formation of nanoscale menisci

artículo científico publicado en 2008

Molecules on gold

artículo científico publicado en 2009

Mono- and bichromatic electron dynamics: LiH, a test case

artículo científico publicado en 2006

Morphological and mechanical characterization of composite calcite/SWCNT-COOH single crystals

artículo científico publicado en 2013

Multistate photo-induced relaxation and photoisomerization ability of fumaramide threads: a computational and experimental study

artículo científico publicado en 2009

Nanopatterning of carbonaceous structures by field-induced carbon dioxide splitting with a force microscope

artículo científico publicado en 2010

New Assignments in the 600 nm Region of C60: The Origins of the T1gand GgTransitions

New assignment of the vibrational structure of the V ← N transition in ethylene-d4

article

New assignments in the 600-nm region of C 60

artículo científico publicado en 1996

Nonlinear Optical Properties of Benzylic Amide [2] Catenanes: A Novel Versatile Photonic Material

Nonlinear optical properties of C60 with explicit time-dependent electron dynamics

article

Normal modes and ground state geometry of porphine. Evidence for dynamic instability of the D2h configuration

article

Nuclear Motions of an Inclusion Complex of Calix[4]arene

Observation and modeling of the recombination kinetics of diphenylmethyl radicals in the cavities of Na-X zeolite

On the 1Ag→1Bu absorption spectrum of four butadiene isotopomers

On the Distribution of Local Molecular Symmetry in Crystals

On the cavitation energy of water

On the vibrational force fields of the ground state of trans- and cis-polyacetylenes

article

On-the-fly, electric-field-driven, coupled electron-nuclear dynamics

artículo científico publicado en 2008

Operations and thermodynamics of an artificial rotary molecular motor in solution

artículo científico publicado en 2014

Ordering Fullerene Materials at Nanometer Dimensions

artículo científico publicado en 2005

Parallel (Face-to-Face) Versus Perpendicular (Edge-to-Face) Alignment of Electron Donors and Acceptors in Fullerene Porphyrin Dyads: The Importance of Orientation in Electron Transfer

artículo científico publicado en 2001

Patterning through Controlled Submolecular Motion: Rotaxane-Based Switches and Logic Gates that Function in Solution and Polymer Films

article

Pentagon adjacency as a determinant of fullerene stability

Permanent Chiral Twisting of Nonchiral Carbon Nanotubes

Photocatalytic activity of exfoliated graphite-TiO2 nanoparticle composites

artículo científico publicado en 2019

Photoemission study of pristine and potassium intercalated benzylic amide catenane films

Photoisomerization of a rotaxane hydrogen bonding template: light-induced acceleration of a large amplitude rotational motion

artículo científico publicado en 2002

Photophysical properties of the ground and triplet state of four multiphenylated [70]fullerene compounds

artículo científico publicado en 2001

Physical Consequences of a Mechanically Interlocked Architecture: Benzylic Amide Catenane NH Stretching Vibrations as Sensitive Probes for Weakly Hydrogen-Bonding Environments

article by Charles-Andre Fustin et al published 15 September 2000 in ChemPhysChem

Playing peekaboo with graphene oxide: a scanning electrochemical microscopy investigation

Polarization Effects in Push−Pull Buckminsterfullerenes: A Semiempirical Study

Polyarene-Functionalized Fullerenes in Carbon Nanotubes: Towards Controlled Geometry of Molecular Chains

artículo científico publicado en 2008

Polymorphism and isomerisation of an azobenzene derivative on gold

Potential energy surface and kinetics of the helix–coil transition in a 33-peptide

Prediction of the structure and the vibrational frequencies of a C84 isomer of D2 symmetry

artículo científico publicado en 1992

Preresonance Raman Spectrum of C76

Probing the structure of lysozyme-carbon-nanotube hybrids with molecular dynamics

article

Propensity Rules for the Stability of Odd-Numbered Fullerenes: A Semiempirical Proposal

artículo científico publicado en 1996

Pseudoparity propensity rules for vibronic perturbations in neutral alternant hydrocarbons

Pyridinedicarboxamide strands form double helices via an activated slippage mechanism

artículo científico publicado en 2004

QCFF/PI vibrational frequencies of some spherical carbon clusters

artículo científico publicado en 1991

Quantitative analysis of charge-carrier trapping in organic thin-film transistors from transfer characteristics

article

Quantum chemical and vibronic analysis of the 1 2B2↔1 2A2, 2 2B2transition in benzyl‐h7and benzyl‐d7radicals

Quantum study of laser-induced initial activation of graphite-to-diamond conversion

artículo científico publicado en 2010

Quantum-chemical analysis of the absorption and emission spectra of coronene

Quantum-chemical analysis of the propeller-shaped molecule [4,4,4]-propellahexaene. A study in heavy-atom tunneling

Quantum-chemical analysis of vibrational intensity distributions in the S0-S1 absorption spectra and raman excitation profiles of azulene

Quantum-chemical investigation of Franck-Condon and Jahn-Teller activity in the electronic spectra of Buckminsterfullerene

artículo científico publicado en 1988

Redox active Double Wall Carbon Nanotubes show intrinsic anti-proliferative effects and modulate autophagy in cancer cells

scholarly article in Carbon, vol. 78, November 2014

Reducing Molecular Shuttling to a Single Dimension

artículo científico publicado en 2000

Reducing Molecular Shuttling to a Single Dimension

Relative stabilities of C76 isomers. A numerical test of the fullerene isolated-pentagon rule

Remarkable Positional Discrimination in Bistable Light- and Heat-Switchable Hydrogen-Bonded Molecular Shuttles

artículo científico publicado en 2003

Resonance Raman activity in odd quanta of the trans bending vibration of acetylene: Strong vibronic coupling in the X̃ to à and X̃ to B̃ transitions

article

Resonance Raman spectra and quantum chemical vibrational analysis of the C7H7⋅ and C7D7⋅ benzyl radicals

Resonance Raman spectroscopy of the B1u region of benzene: Analysis in terms of pseudo‐Jahn–Teller distortion

Reverse engineering of monolayers and nanopatterns

Role of Substrate in Directing the Self-Assembly of Multicomponent Supramolecular Networks at the Liquid–Solid Interface

artículo científico publicado en 2012

Role of the intracellular cavity in potassium channel conductivity

artículo científico publicado en 2007

Rolling up a graphene sheet

artículo científico publicado en 2013

Rotaxanes––novel photonic molecules

Rotor-vibrator couplings in partially deuterated toluenes

Saturation versus inductive effects: the electrochemistry of the C70Ph2n (n = 1–5) series

article by Anthony G. Avent et al published 2001 in Perkin transactions II RSC

Scaled ab initio force field of E- and Z-hexatriene in the S0 and T1 states

artículo científico publicado en 1993

Scaling of the second hyperpolarisabilities of conjugated carbon systems: polyynes versus polyenes and fullerenes

Scattering of the vibrational frequencies of 13C12C60−. A Raman spectroscopy and quantum chemical study

artículo científico publicado en 1993

Selective Enhancement of Photoluminescence in Filled Single-Walled Carbon Nanotubes

Self-assembly of semifluorinated n-alkanethiols on {111}-oriented Au investigated with scanning tunneling microscopy experiment and theory

artículo científico publicado en 2007

Self-organization of nano-lines and dots triggered by a local mechanical stimulus

artículo científico publicado en 2006

Self-organization of rotaxane thin films into spatially correlated nanostructures: morphological and structural aspects

artículo científico publicado en 2006

Semiempirical quantum-chemical assignment of the circular dichroism spectra of small chiral fullerenes

Shape Governs the Motion of Chemically Propelled Janus Swimmers

Shaping of a Conformationally Flexible Molecular Structure for Spectroscopy

artículo científico publicado en 2008

Simple models for hydrophobic hydration

artículo científico publicado en 2005

Simulation of STM Images from Commercially Available Software

scholarly article by Giorgio Orlandi et al published June 1999 in Journal of the American Chemical Society

Simulation of some dynamical aspects of the photophysics of dye molecules encapsulated in a dendrimer

Singling out the electrochemistry of individual single-walled carbon nanotubes in solution

artículo científico publicado en 2008

Solid-State Fingerprints of Molecular Threading Detected by Inelastic Neutron Scattering

artículo científico publicado en 2002

Splitting CO2 with Electric Fields: A Computational Investigation

Spontaneous Fabrication of Microscopic Arrays of Molecular Structures with Submicron Length Scales

Stability and IR spectra of isomers of C60F48

Stability, dynamics, and lubrication of MoS2 platelets and nanotubes

artículo científico publicado en 2012

Stable and Biocompatible Monodispersion of C60 in Water by Peptides

scientific article published on 24 January 2019

Stilbenoid molecules: An experimental and theoretical study of trans-1-(2-pyridyl)-2-(4-pyridyl)-ethylene and the parent molecule

Stochastic analysis of movements on surfaces: The case of C60 on Au(111)

Structural Motifs and the Stability of Fullerenes

Structural Predictions for the C116Molecule

Structural features of aquaporin 4 supporting the formation of arrays and junctions in biomembranes

scientific article published in 2012

Structure and photophysics of an old, new molecule: 1,3,6,8-tetraazatricyclo[4.4.1.1(3,8)]dodecane

artículo científico publicado en 2002

Sum over orbitals scaling of the second hyperpolarisabilities of polyenic chains: a case study

article by Marianna Fanti & Francesco Zerbetto published March 1998 in Chemical Physics Letters

Supramolecular self-assembled fullerene nanostructures

artículo científico publicado en 2002

Surface Enhanced Second Harmonic Generation from Macrocycle, Catenane, and Rotaxane Thin Films: Experiments and Theory

artículo científico publicado en 2006

Surface enhanced SHG from macrocycle, catenane and rotaxane thin films: experiments and theory

Switching “On” and “Off” the Expression of Chirality in Peptide Rotaxanes

artículo científico publicado en 2002

Synthetic Molecular Motors and Mechanical Machines

artículo científico publicado en 2007

Tackling the Challenges of Dynamic Experiments Using Liquid-Cell Transmission Electron Microscopy.

artículo científico publicado en 2017

Temperature-Dependent Fluorescence of Cu5 Metal Clusters: A Molecular Thermometer

artículo científico publicado en 2012

The Devil and Holy Water: Protein and Carbon Nanotube Hybrids ⬇️

artículo científico publicado el 5 de julio de 2013

The EEL epectrum of the triplet exciton of C60 and the theoretical analysis of its vibronic structure

article published in 1996

The Electrochemistry of C60Ph5Cl: A Very Special Fullerene Derivative

article by Paul R. Birkett et al published May 2000 in Journal of the American Chemical Society

The Franck–Condon structure of the 1A→1B transition of cis‐ and trans‐hexatriene: An ab initio modeling

The Free Energy of Nanobubbles in Organic Liquids

article

The Mechanism of Formation of Amide-Based Interlocked Compounds: Prediction of a New Rotaxane-Forming Motif

artículo científico publicado en 2004

The Raman activity of and : a computational semiempirical study

The S0-T1 transition of [1.1.1]propellane: a theoretical study

The Stone-Wales map for C60

article by S.J. Austin et al published March 1995 in Chemical Physics Letters

The T1 and T2 planar structures of butadiene

The circular dichroism spectrum of C76. A quantum chemical study

The collapse of nanobubbles in water

scientific article published in 2005

The costly process of creating a cavity in n-octanol

The effect of guest inclusion on the crystal packing of p-tert-butylcalix[4]arenes

artículo científico publicado en 2002

The effect of mechanical interlocking on crystal packing: predictions and testing

artículo científico publicado en 2002

The effect of pressure on the electronic spectra of anthracene derivatives

The effect of temperature on the internal dynamics of dansylated POPAM dendrimers

scholarly article in RSC Advances, vol. 1 no. 9, 2011

The electronic structure and vibrational frequencies of the stable C76 isomer of D2 symmetry

The erratic emission of pyrene on gold nanoparticles

artículo científico publicado en 2008

The hyperpolarisability of an endohedral fullerene: Li@C60

The inelastic neutron scattering of two benzylic amide [2]catenanes

The infrared and Raman active vibrational frequencies of C60 hexaanion

artículo científico publicado en 1992

The infrared spectrum of a non conjugated conducting polymer

The intramolecular vibrations of prototypical polythiophenes

The large 1 1Ag−–2 1Ag−CC and C–C stretch vibronic interaction in all-trans polyenes

The resonance Raman spectrum of cyclobutene

artículo científico publicado en 1995

The torsional spectrum of CH3CD3

The vibrational frequencies of C60

artículo científico publicado en 1992

The vibrational spectroscopy of C60H36: An experimental and theoretical study

TheS0(1Ag)–S1(1B2u) vibronic transition in benzene: Anabinitiostudy

Theoretical analysis of Franck-Condon and vibronic activity of the ag and b3g modes in the S0↔ S1 transitions in anthracene

Theoretical analysis of the force field of the lowest excited singlet state of trans-stilbene

article published in 1989

Theoretical analysis of the vibrational structure of the T←N transition in ethylene

Theoretical investigation of asymmetric methyl rotor dynamics in partially deuterated acetophenones

article

Theoretical investigation of the inversion of the methylcyclopropyl radical

scientific article published in 1989

Theoretical study of the CC stretching vibrations in linked polyene chains: Nystatin

Theoretical study of the force field of the lowest singlet electronic states of long polyenes

Theoretical study of the force fields of the three lowest singlet electronic states of linear polyenes

article published in 1988

Theoretical study of the vibronic structure of the 1 1A1→1 1B2 and 1 1A1→1 3B2 electronic transitions in cyclopentadiene

Thermal collapse of snowflake fractals

Third-Order Susceptibility of Li@C60

Triplet State Resonance Raman and Absorption Spectroscopy of a Configurationally Locked (Z)-Hexatriene: 1,2-Divinylcyclopentene

Tunneling splittings from ab initio data: indoline, a test case

Understanding the Cosolvation Effect of Dendrimers

article published in 2005

Unexpected Photophysical Properties of Symmetric Indolylmaleimide Derivatives†

Unidirectional rotation in a mechanically interlocked molecular rotor

scientific article published in Nature

Validity of the essential states model in fullerenes

Vibrational potentials of the low frequency out‐of‐plane motion in the ground and excited singlet electronic states of 9,10‐dihydrophenanthrene

article

Vibrational spectrum and harmonic force field of trimethylamine

article

Vibrational structure of C84 and Sc2@C84 analyzed by IR spectroscopy

Vibrationally modulated hyperfine coupling in the EPR spectrum of the oxiranyl radical

Vibronic activity in trans,trans‐1,3,5,7 octatetraene: The S0→S1 spectrum

Vibronic coupling between the lowest electronic states of biphenyl

Vibronic coupling in polyenes and their derivatives. Interpretation of the absorption and emission spectra of a derivative of dodecahexaene

Vibronic coupling in polyenes: The frequency increase of the active CC ag stretching mode in the absorption spectra

Vibronic coupling in the benzyl radical

Vibronic interactions in s-trans-butadiene

Vibronically induced intensities by CNDO /S calculations: The ν8/ν6 intensity ratio in S1 al S0 transition in benzene

Water-induced polaron formation at the pentacene surface: Quantum mechanical molecular mechanics simulations

scholarly article in Physical Review B, vol. 79 no. 15, April 2009

What is adenine doing in photolyase?

artículo científico publicado en 2010

White and Colored Noises as Driving Forces of Electron Transfer: The Photolyase Repair Mechanism as a Test Case

scientific article published on 26 July 2019

Why do the S0→S1(nπ*) and S0→T2(nπ*) transitions in acetophenone display different activity of the methyl group torsion?

Wrapping nanotubes with micelles, hemimicelles, and cylindrical micelles

α,ε-Hybrid foldamers with 1,2,3-triazole rings: order versus disorder

artículo científico publicado en 2014

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