About: Direct determination of molecular constants from rovibronic spectra with genetic algorithms

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scholarly article by J. A. Hageman et al published 8 November 2000 in Journal of Chemical Physics

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rdf:type	Item
description	wetenschappelijk artikel (nl) наукова стаття, опублікована в листопаді 2000 (uk) im November 2000 veröffentlichter wissenschaftlicher Artikel (de) scholarly article by J. A. Hageman et al published 8 November 2000 in Journal of Chemical Physics (en)
publication date	wds:Q57836251-AF7F04B7-AA76-4162-9EFD-4AB6BEBA4F32
publication date	2000-11-08 00:00:00Z (xsd:dateTime)
language of work or name	wds:Q57836251-DC4848C7-9195-4B61-99FD-71816E40B279
language of work or name	English
cites work	wds:Q57836251-512FB7FC-4DA6-4ACA-A43E-7A96BA399A00 wds:Q57836251-5417D7D0-782E-491F-9335-D7004D8EA165 wds:Q57836251-A488E4A1-43B8-440A-83D1-886C7760BB0D
cites work	Continuous similarity measure between nonoverlapping X-ray powder diagrams of different crystal modifications Evolutionary optimisation: a tutorial The quality of optimisation by genetic algorithms
author name string	wds:Q57836251-4CC347CD-EFC7-4647-815A-C35A8CB42C9F wds:Q57836251-6D2AA782-D01A-4CA6-BA79-8DC9E6BF0B6D wds:Q57836251-7A785F64-4FFE-46CC-A7BF-0D6FE0CA3AE8
author name string	R. de Gelder W. Leo Meerts J. A. Hageman
rdfs:label	Direct determination of molecular constants from rovibronic spectra with genetic algorithms (en) Direct determination of molecular constants from rovibronic spectra with genetic algorithms (nl)
skos:prefLabel	Direct determination of molecular constants from rovibronic spectra with genetic algorithms (en) Direct determination of molecular constants from rovibronic spectra with genetic algorithms (nl)
name	Direct determination of molecular constants from rovibronic spectra with genetic algorithms (en) Direct determination of molecular constants from rovibronic spectra with genetic algorithms (nl)
author	wds:Q57836251-4DDE5F63-B0C3-4C93-BE2C-BC7F9D3C9D31 wds:Q57836251-6662F2D0-1CF1-46B9-97A4-7462C06366E0
author	Lutgarde Buydens Ron Wehrens
title	wds:Q57836251-DF71D82F-570B-4927-A61C-71A0EC4C876D
title	Direct determination of molecular constants from rovibronic spectra with genetic algorithms (en)
page(s)	wds:Q57836251-195D21B5-E674-49A8-9EC4-88BAD0889C26
page(s)	7955-7962
instance of	wds:Q57836251-57FA82FB-6130-4CE7-8DE4-197A7217BDD8
instance of	scholarly article
main subject	wds:Q57836251-A99A01CE-413C-459B-9DBF-ED2B2AB7BF8C
main subject	algorithm
published in	wds:Q57836251-AF129CB6-64B9-4001-B406-E8298BBD2435
published in	Journal of Chemical Physics
issue	wds:Q57836251-04E98D50-B98A-4EAF-8A93-1426D88901BE
volume	wds:Q57836251-A65A67A4-105D-4C7A-BED5-79911760E5C1
issue	18
volume	113
DOI	wds:Q57836251-C7837F25-F957-4022-B871-72CF5A8362FE
DOI	http://dx.doi.org/10.1063/1.1314353
DOI	10.1063/1.1314353
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q57836251
is cites work of	Fluorine substitution and nonconventional OH...pi intramolecular bond: high-resolution UV spectroscopy and ab initio calculations of 2-(p-fluorophenyl)ethanol Rotational isomers of hydroxy deuterated o- and m-cresols studied by ultraviolet high resolution experiments Improved parametric time warping for proteomics Powder pattern indexing using the weighted crosscorrelation and genetic algorithms. Structural selection by microsolvation: conformational locking of tryptamine. Conformational relaxation paths in tryptamine. The structure of 4-methylphenol and its water cluster revealed by rotationally resolved UV spectroscopy using a genetic algorithm approach Probing the acidity of p-substituted phenols in the excited state: electronic spectroscopy of the p-cyanophenol-water cluster. The structure of the phenol-nitrogen cluster: a joint experimental and ab initio study The structure of phenol-Ar(n) (n=1,2) clusters in their S(0) and S(1) states. Determining the intermolecular structure in the S0 and S1 states of the phenol dimer by rotationally resolved electronic spectroscopy. Twisted intramolecular charge transfer states: rotationally resolved fluorescence excitation spectra of 4,4'-dimethylaminobenzonitrile in a molecular beam. A new genetic algorithm to be used in the direct fit of potential energy curves toab initioand spectroscopic data Determination of the excited-state structure of 7-azaindole-water cluster using a Franck-Condon analysis. Rotationally resolved studies of S0 and the exciton coupled S1/S2 origin regions of diphenylmethane and the d(12) isotopologue Conformational effects on excitonic interactions in a prototypical H-bonded bichromophore: bis(2-hydroxyphenyl)methane. Observation of ultraviolet rotational band contours of the DNA base adenine: Determination of the transition moment. Fragmentation and conformation study of ephedrine by low- and high-resolution mass selective UV spectroscopy Electronic excitation in the benzonitrile dimer: The intermolecular structure in the S0 and S1 state determined by rotationally resolved electronic spectroscopy Tunneling splittings in the S0 and S1 states of the benzoic acid dimer determined by high-resolution UV spectroscopy. The Development of a Semtex-H Simulant for Terahertz Spectroscopy High-resolution studies of tropolone in the S0 and S1 electronic states: isotope driven dynamics in the zero-point energy levels High-resolution cavity ringdown spectroscopy of the jet-cooled propyl peroxy radical C(3)H(7)O(2). Rotationally resolved C2 symmetric conformers of bis-(4-hydroxyphenyl)methane: prototypical examples of excitonic coupling in the S1 and S2 electronic states High-resolution ultraviolet spectroscopy of p-fluorostyrene-water: evidence for a sigma-type hydrogen-bonded dimer High resolution study of the ν2 and ν5 rovibrational fundamental bands of thionyl chloride: Interplay of an evolutionary algorithm and a line-by-line analysis Application of genetic algorithms in automated assignments of high-resolution spectra Vibronic coupling in indole: II. Investigation of the 1La-1Lb interaction using rotationally resolved electronic spectroscopy AUTOFIT, an automated fitting tool for broadband rotational spectra, and applications to 1-hexanal Structure and internal rotation in the S(0) and S(1) states of o-toluidine studied by high resolution UV spectroscopy Torsional barriers in aromatic molecular clusters as probe of the electronic properties of the chromophore. High-resolution cavity ringdown spectroscopy of the jet-cooled ethyl peroxy radical C2H5O2. Spectroscopic studies of the Ã-X̃ electronic spectrum of the β-hydroxyethylperoxy radical: structure and dynamics. The conformational landscape of 5-methoxytryptamine studied by rotationally resolved fluorescence spectroscopy and resonant ionization spectroscopy Evidence for a C-H...pi type weak interaction: 1 : 1 complex of styrene with acetylene studied by mass selective high-resolution UV spectroscopy and ab initio calculations. Specific and nonspecific interactions in a molecule with flexible side chain: 2-phenylethanol and its 1:1 complex with argon studied by high-resolution UV spectroscopy. A genetic algorithm based determination of the ground and excited (1Lb) state structure and the orientation of the transition dipole moment of benzimidazole. Spectroscopic-network-assisted precision spectroscopy and its application to water Structure determination of resorcinol rotamers by high-resolution UV spectroscopy. EASY-GOING deconvolution: combining accurate simulation and evolutionary algorithms for fast deconvolution of solid-state quadrupolar NMR spectra. High resolution electronic spectroscopy of 9-fluorenemethanol in the gas phase: new insights into the properties of Π-hydrogen bonds Direct fit of spectroscopic data of diatomic molecules by using genetic algorithms: II. The ground state of RbCs Rotational and fine structure of open-shell molecules in nearly degenerate electronic states. II. Interpretation of experimentally determined interstate coupling parameters of alkoxy radicals Efficient analysis of (51)V solid-state MAS NMR spectra using genetic algorithms. Rotationally Resolved Electronic Spectroscopy and Automatic Assignment Techniques using Evolutionary Algorithms Automated, context-free assignment of asymmetric rotor microwave spectra Automated parameter optimization in modeling absorption spectra and resonance Raman excitation profiles Rotationally resolved UV spectroscopy of the rotamers of indole-4-carboxylic acid: Evidence for charge transfer quenching
is cites work of	wds:Q33507605-C0E36A76-6EE8-4F94-9A18-A236C6326802 wds:Q58342382-B5C49FA1-B4EC-4616-A7E4-54B3F5C2659A wds:Q56331314-DCD4E9ED-E656-4543-8B0A-7CCD1A9D2485

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