Lista de obras - Anders Østergaard Madsen

A combined model of electron density and lattice dynamics refined against elastic diffraction data. Thermodynamic properties of crystalline L-alanine

artículo científico publicado en 2020

A crystal structure prediction enigma solved: the gallic acid monohydrate system - surprises at 10 K.

artículo científico publicado en 2016

A neutron diffraction study of xylitol: derivation of mean square internal vibrations for H atoms from a rigid-body description

artículo científico publicado en 2003

A pH-metric, UV, NMR, and X-ray crystallographic study on arsenous acid reacting with dithioerythritol

artículo científico publicado en 2008

A simple approach to estimate isotropic displacement parameters for hydrogen atoms

artículo científico publicado en 2015

Anisotropic displacement parameters for molecular crystals from periodic Hartree–Fock and density functional theory calculations

Atomic structures of amyloid cross-beta spines reveal varied steric zippers

artículo científico publicado en 2007

Bismuth(III)-Promoted Acetylation of Thioethers into Thioacetates

Bromosubstituted Norbornadienes and Their Reversible Photolytic Transformation to Quadricyclanes

article published in 2014

Design, synthesis, and time-gated cell imaging of carbon-bridged triangulenium dyes with long fluorescence lifetime and red emission.

artículo científico publicado en 2018

Diversity-Oriented Syntheses by Combining CuAAC and Stereoselective INCIC Reactions with Peptides

artículo científico publicado en 2017

Dynamic quantum crystallography: lattice-dynamical models refined against diffraction data. I. Theory

artículo científico publicado en 2016

Dynamic quantum crystallography: lattice-dynamical models refined against diffraction data. II. Applications to L-alanine, naphthalene and xylitol

artículo científico publicado en 2017

Elucidation of the intrinsic optical properties of hydrogen-bonded and protonated flavin chromophores by photodissociation action spectroscopy

artículo científico publicado en 2018

Estimated H-atom anisotropic displacement parameters: a comparison between different methods and with neutron diffraction results

artículo científico publicado en 2008

Heterogeneous nucleation of polymorphs on polymer surfaces: polymer–molecule interactions using a Coulomb and van der Waals model

artículo científico publicado en 2018

Heterogeneous nucleation of polymorphs on polymer surfaces: polymer–molecule interactions using a heterogeneous dielectric solvation model

scientific article published on 09 June 2018

Implications of X-ray thermal diffuse scattering in integrated Bragg intensities of silicon and cubic boron nitride

Insight into solid-state entropy from diffraction data

artículo científico publicado en 2007

Low-temperature crystal structure evolution of (Na,Ca)(Cr,Mg)Si2O6 pyroxene

Macrocycle ring deformation as the secondary design principle for light-harvesting complexes

article published in the Proceedings of the National Academy of Sciences of the United States of America

Making a robust carbon-cobalt(III) bond.

artículo científico publicado en 2009

Modeling and Analysis of Hydrogen Atoms

article

Modeling of the nuclear parameters for H atoms in X-ray charge-density studies

article

SHADE3server: a streamlined approach to estimate H-atom anisotropic displacement parameters using periodic ab initio calculations or experimental information

article

SHADEweb server for estimation of hydrogen anisotropic displacement parameters

Structure of the cross-beta spine of amyloid-like fibrils

artículo científico publicado en 2005

Superarming of glycosyl donors by combined neighboring and conformational effects.

artículo científico publicado en 2013

Synthesis and characterization of tetrathiafulvalene-substituted di- and tetraethynylethenes with p-nitrophenyl acceptors

artículo científico publicado en 2009

Synthesis and structures of N-alkyl-1,13-dimethoxychromeno- [2,3,4-kl]acridinium salts: the missing azaoxa[4]helicenium

artículo científico publicado en 2014

Synthesis of dithiafulvene–quinone donor–acceptor systems: isolation of a Michael adduct

The phosphorylation site in double helical amylopectin as investigated by a combined approach using chemical synthesis, crystallography and molecular modeling

artículo científico publicado en 2003

The structural biology of protein aggregation diseases: Fundamental questions and some answers

artículo científico publicado en 2006

Understanding thermodynamic properties at the molecular level: multiple temperature charge density study of ribitol and xylitol

artículo científico publicado en 2011

X-ray diffraction data as a source of the vibrational free-energy contribution in polymorphic systems

scientific article published on 08 May 2019

Yes, one can obtain better quality structures from routine X-ray data collection

artículo científico publicado en 2016

Lista de obras de Anders Østergaard Madsen

A combined model of electron density and lattice dynamics refined against elastic diffraction data. Thermodynamic properties of crystalline L-alanine

A crystal structure prediction enigma solved: the gallic acid monohydrate system - surprises at 10 K.

A neutron diffraction study of xylitol: derivation of mean square internal vibrations for H atoms from a rigid-body description

A pH-metric, UV, NMR, and X-ray crystallographic study on arsenous acid reacting with dithioerythritol

A simple approach to estimate isotropic displacement parameters for hydrogen atoms

Anisotropic displacement parameters for molecular crystals from periodic Hartree–Fock and density functional theory calculations

Atomic structures of amyloid cross-beta spines reveal varied steric zippers

Bismuth(III)-Promoted Acetylation of Thioethers into Thioacetates

Bromosubstituted Norbornadienes and Their Reversible Photolytic Transformation to Quadricyclanes

Design, synthesis, and time-gated cell imaging of carbon-bridged triangulenium dyes with long fluorescence lifetime and red emission.

Diversity-Oriented Syntheses by Combining CuAAC and Stereoselective INCIC Reactions with Peptides

Dynamic quantum crystallography: lattice-dynamical models refined against diffraction data. I. Theory

Dynamic quantum crystallography: lattice-dynamical models refined against diffraction data. II. Applications to L-alanine, naphthalene and xylitol

Elucidation of the intrinsic optical properties of hydrogen-bonded and protonated flavin chromophores by photodissociation action spectroscopy

Estimated H-atom anisotropic displacement parameters: a comparison between different methods and with neutron diffraction results

Heterogeneous nucleation of polymorphs on polymer surfaces: polymer–molecule interactions using a Coulomb and van der Waals model

Heterogeneous nucleation of polymorphs on polymer surfaces: polymer–molecule interactions using a heterogeneous dielectric solvation model

Implications of X-ray thermal diffuse scattering in integrated Bragg intensities of silicon and cubic boron nitride

Insight into solid-state entropy from diffraction data

Low-temperature crystal structure evolution of (Na,Ca)(Cr,Mg)Si2O6 pyroxene

Macrocycle ring deformation as the secondary design principle for light-harvesting complexes

Making a robust carbon-cobalt(III) bond.

Modeling and Analysis of Hydrogen Atoms

Modeling of the nuclear parameters for H atoms in X-ray charge-density studies

SHADE3server: a streamlined approach to estimate H-atom anisotropic displacement parameters using periodic ab initio calculations or experimental information

SHADEweb server for estimation of hydrogen anisotropic displacement parameters

Structure of the cross-beta spine of amyloid-like fibrils

Superarming of glycosyl donors by combined neighboring and conformational effects.

Synthesis and characterization of tetrathiafulvalene-substituted di- and tetraethynylethenes with p-nitrophenyl acceptors

Synthesis and structures of N-alkyl-1,13-dimethoxychromeno- [2,3,4-kl]acridinium salts: the missing azaoxa[4]helicenium

Synthesis of dithiafulvene–quinone donor–acceptor systems: isolation of a Michael adduct

The phosphorylation site in double helical amylopectin as investigated by a combined approach using chemical synthesis, crystallography and molecular modeling

The structural biology of protein aggregation diseases: Fundamental questions and some answers

Understanding thermodynamic properties at the molecular level: multiple temperature charge density study of ribitol and xylitol

X-ray diffraction data as a source of the vibrational free-energy contribution in polymorphic systems

Yes, one can obtain better quality structures from routine X-ray data collection