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Lista de obras de Michael E Harding

A highly flexible molecule: The peculiar case of ethynyl isothiocyanate HCCNCS

scientific article published on 01 September 2018

A new experimental absolute nuclear magnetic shielding scale for oxygen based on the rotational hyperfine structure of H(2)(17)O

scientific article published on 01 December 2009

Benchmarking the Lithium–Thiophene Complex ⬇️

artículo científico publicado el 6 de diciembre de 2012

Characterization of Nonanuclear Europium and Gadolinium Complexes by Gas-Phase Luminescence Spectroscopy

artículo científico publicado en 2014

Correlation of the structural information obtained for europium-chelate ensembles from gas-phase photoluminescence and ion-mobility spectroscopy with density-functional computations and ligand-field theory.

artículo científico publicado en 2017

Coupled-cluster techniques for computational chemistry: The CFOUR program package

scientific article published on 01 June 2020

Differential Many-Body Cooperativity in Electronic Spectra of Oligonuclear Transition-Metal Complexes

artículo científico publicado en 2015

Dissociation energy of the HOOO radical

artículo científico publicado en 2009

Effect of Proton Substitution by Alkali Ions on the Fluorescence Emission of Rhodamine B Cations in the Gas Phase.

artículo científico publicado en 2014

Electron affinities, well depths, and vibrational spectroscopy of cis- and trans-HOCO.

artículo científico publicado en 2011

Frequency-comb spectroscopy on pure quantum states of a single molecular ion

artículo científico publicado en 2020

Gas-Phase Photoluminescence Characterization of Stoichiometrically Pure Nonanuclear Lanthanoid Hydroxo Complexes Comprising Europium or Gadolinium.

artículo científico publicado en 2016

High-accuracy extrapolated ab initio thermochemistry of the propargyl radical and the singlet C(3)H(2) carbenes.

artículo científico publicado en 2009

High-accuracy extrapolated ab initio thermochemistry of the vinyl, allyl, and vinoxy radicals

scientific article published on 12 July 2012

High-accuracy extrapolated ab initio thermochemistry of vinyl chloride

artículo científico publicado en 2007

High-accuracy extrapolated ab initio thermochemistry. III. Additional improvements and overview

artículo científico publicado en 2008

High-resolution spectroscopy of C3 around 3 μm.

artículo científico publicado en 2013

Intrinsic fluorescence properties of rhodamine cations in gas-phase: triplet lifetimes and dispersed fluorescence spectra

artículo científico publicado en 2013

Parallel Calculation of CCSD and CCSD(T) Analytic First and Second Derivatives

artículo científico publicado en 2008

Parallel Calculation of CCSDT and Mk-MRCCSDT Energies

artículo científico publicado en 2010

Quantitative prediction of gas-phase 19F nuclear magnetic shielding constants

scientific article published on 01 June 2008

Quasi-Particle Self-Consistent GW for Molecules

scientific article published on 26 May 2016

Substitutional photoluminescence modulation in adducts of a europium chelate with a range of alkali metal cations: a gas-phase study.

artículo científico publicado en 2013

TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations

artículo científico publicado en 2020

The He–H3+ complex. I. Vibration-rotation-tunneling states and transition probabilities

scientific article published in 2022

The He–H3+ complex. II. Infrared predissociation spectrum and energy term diagram

scientific article published in 2022

The first microsolvation step for furans: New experiments and benchmarking strategies

artículo científico publicado en 2020

The furan microsolvation blind challenge for quantum chemical methods: First steps.

artículo científico publicado en 2018

The hyperfine structure in the rotational spectra of D2(17)O and HD(17)O: Confirmation of the absolute nuclear magnetic shielding scale for oxygen

artículo científico publicado en 2015

Theoretical investigation of electronic excitation energy transfer in bichromophoric assemblies

artículo científico publicado en 2008

Towards highly accurate ab initio thermochemistry of larger systems: benzene

scientific article published on 01 July 2011

Tunneling in a simple bond scission: the surprising Barrier in the H loss from HCOOH(+)

artículo científico publicado en 2010

Understanding UV-Vis Spectra of Halogenated Tetraazaperopyrenes (TAPPs): A Computational Study

scientific article published on 29 March 2019

Vibrational Energy Levels via Finite-Basis Calculations Using a Quasi-Analytic Form of the Kinetic Energy

artículo científico publicado en 2011

Vibronic Coupling Analysis of the Ligand-centered Phosphorescence of Gas-phase Gd(III) and Lu(III) 9-oxo-phenalen-1-one Complexes

artículo científico publicado en 2018

Why benchmark-quality computations are needed to reproduce 1-adamantyl cation NMR chemical shifts accurately

artículo científico publicado en 2011

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