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List of works by Patrick Norman

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The Dalton quantum chemistry program system

scientific article (publication date: May 2014)
Nonlinear response theory with relaxation: the first-order hyperpolarizability.

scientific article published in November 2005
Density-functional theory calculations of optical rotatory dispersion in the nonresonant and resonant frequency regions

scientific article
A perspective on nonresonant and resonant electronic response theory for time-dependent molecular properties

scientific article published on October 4, 2011
A Palette of Fluorescent Thiophene-Based Ligands for the Identification of Protein Aggregates.

scientific article
On the Influence of Water on the Electronic Structure of Firefly Oxyluciferin Anions from Absorption Spectroscopy of Bare and Monohydrated Ions in Vacuo

scientific article published on April 17, 2013
Asymmetric-Lanczos-Chain-Driven Implementation of Electronic Resonance Convergent Coupled-Cluster Linear Response Theory

scientific article published on April 9, 2012
Cubic nonlinear optical properties of platinum-terminated polyynediyl chains

scientific article
On the Efficiency of Algorithms for Solving Hartree-Fock and Kohn-Sham Response Equations

scientific article
Complex polarization propagator calculations of magnetic circular dichroism spectra

scientific article published in March 2008
Near-edge x-ray absorption and natural circular dichroism spectra of L-alanine: a theoretical study based on the complex polarization propagator approach

scientific article published in October 2007
Near-resonant absorption in the time-dependent self-consistent field and multiconfigurational self-consistent field approximations

scientific article published in 2001
Efficient Calculations of Molecular Linear Response Properties for Spectral Regions

scientific article published in June 2014
Complex polarization propagator method for calculation of dispersion coefficients of extended pi-conjugated systems: the C6 coefficients of polyacenes and C60.

scientific article published in September 2005
Polarization propagator for x-ray spectra

scientific article published on 02 October 2006
Electronic circular dichroism spectra from the complex polarization propagator

scientific article published on 01 April 2007
Toward a molecular understanding of the detection of amyloid proteins with flexible conjugated oligothiophenes

scientific article
Carbon X-ray absorption spectra of fluoroethenes and acetone: a study at the coupled cluster, density functional, and static-exchange levels of theory.

scientific article published in March 2013
Time-dependent density functional theory for resonant properties: resonance enhanced Raman scattering from the complex electric-dipole polarizability

scientific article published on 11 May 2009
Origin of DNA-Induced Circular Dichroism in a Minor-Groove Binder

scientific article
Beyond the electric-dipole approximation: A formulation and implementation of molecular response theory for the description of absorption of electromagnetic field radiation

scientific article
TD-DFT investigation of the magnetic circular dichroism spectra of some purine and pyrimidine bases of nucleic acids.

scientific article published on 20 February 2015
Photoionization cross section by Stieltjes imaging applied to coupled cluster Lanczos pseudo-spectra

scientific article
Molecular dynamics effects on luminescence properties of oligothiophene derivatives: a molecular mechanics-response theory study based on the CHARMM force field and density functional theory

scientific article published on 5 September 2011
The A and B Terms of Magnetic Circular Dichroism Revisited

scientific article published on 04 September 2008
The Cotton–Mouton effect of gaseous CO2, N2O, OCS, and CS2. A cubic response multiconfigurational self-consistent field study

Communication: A reduced-space algorithm for the solution of the complex linear response equations used in coupled cluster damped response theory.

scientific article published in December 2013
Nuclear spin circular dichroism

scientific article published on 01 April 2014
Relativistic effects on linear and nonlinear polarizabilities studied by effective-core potential, Douglas–Kroll, and Dirac–Hartree–Fock response theory

A combined MD/QM and experimental exploration of conformational richness in branched oligothiophenes

scientific article published on October 16, 2014
Bottom-Up Hierarchical Self-Assembly of Chiral Porphyrins through Coordination and Hydrogen Bonds

scientific article published on 14 December 2015
Quadratic response functions in the relativistic four-component Kohn-Sham approximation

scientific article
Non-additivity of polarizabilities and van der Waals C6 coefficients of fullerenes

scientific article published on 01 March 2013
DNA Electronic Circular Dichroism on the Inter-Base Pair Scale: An Experimental-Theoretical Case Study of the AT Homo-Oligonucleotide

scientific article published on 12 January 2015
Linear complex polarization propagator in a four-component Kohn-Sham framework

scientific article published in August 2010
Electric and magnetic properties of fullerenes

article published in 1998
Complex polarization propagator approach in the restricted open-shell, self-consistent field approximation: the near K-edge X-ray absorption fine structure spectra of allyl and copper phthalocyanine

scientific article published on 08 July 2010
Resonant-Convergent PCM Response Theory for the Calculation of Second Harmonic Generation in Makaluvamines A–V: Pyrroloiminoquinone Marine Natural Products from Poriferans of Genus Zyzzya

scientific article published on January 29, 2015
A complex-polarization-propagator protocol for magneto-chiral axial dichroism and birefringence dispersion.

scientific article published on 27 April 2016
Binding modes of a core-extended metalloporphyrin to human telomeric DNA G-quadruplexes

scientific article published on 01 February 2015
X-ray absorption and natural circular dichroism spectra of C84: A theoretical study using the complex polarization propagator approach

scientific article published on 01 June 2008
Theoretical simulations of clamping levels in optical power limiting

scientific article published in October 2006
On circular dichroism and the separation between chromophore and chiral center: the near carbon K-edge X-ray absorption and circular dichroism spectra of noradrenaline and L-DOPA.

scientific article published in January 2009
Hybrid Complex Polarization Propagator/Molecular Mechanics Method for Heterogeneous Environments

scientific article published on 11 May 2016
Effects of pi-stacking interactions on the near carbon K-edge x-ray absorption fine structure: a theoretical study of the ethylene pentamer and the phthalocyanine dimer

scientific article published in March 2009
Spectroscopic signatures of topological and diatom-vacancy defects in single-walled carbon nanotubes

scientific article published in January 2014
Quantum Mechanics/Molecular Mechanics Density Functional Theory Simulations of the Optical Properties Fingerprinting the Ligand-Binding of Pentameric Formyl Thiophene Acetic Acid in Amyloid-β(1-42)

scientific article published on 27 January 2020
Resonance Raman spectra of TNT and RDX using vibronic theory, excited-state gradient, and complex polarizability approximations

scientific article published on 23 July 2012
Suppressing depolarization by tail substitution in an organic supramolecular ferroelectric

article
Marine natural products from the deep Pacific as potential non-linear optical chromophores.

scientific article

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