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Enregistrement W2044146762 · doi:10.1002/qua.20134

Preface: Proceedings of the Seventh European Workshop on Quantum Systems in Chemistry and Physics

2004· article· en· W2044146762 sur OpenAlexaff
Josef Paldus, Jiřı́ Čı́žek

Notice bibliographique

RevueInternational Journal of Quantum Chemistry · 2004
Typearticle
Langueen
DomaineChemistry
ThématiqueHistory and advancements in chemistry
Établissements canadiensUniversity of Waterloo
Organismes subventionnairesnon disponible
Mots-clésSlovakLibrary sciencePhysicsEngineering physicsCzechChemistryComputer sciencePhilosophy

Résumé

récupéré en direct d'OpenAlex

This special issue presents the Proceedings of the Seventh European Workshop on Quantum Systems in Chemistry and Physics (QSCP VII) with emphasis on innovative theory and its application, together with the development of novel computational methods. The Workshop was held September 10–15, 2002, in the Časta Papiernička Conference Center, a superbly equipped facility of the Office of the National Council of the Slovak Republic, which is located amidst the Forest of Carpathy in the Little Carpathians, the foothills of the Carpathian mountains, less than an hour's drive from Bratislava, capital of Slovakia. Having the Seventh European Workshop in Časta Papiernička was not only a manifestation of both the current and past strong interest and a remarkable progress in quantum theory of molecular electronic structure and its practical applications in Slovakia, but also a celebration of an important anniversary of a trio of well-known quantum chemists, who stood at the cradle of the field of quantum chemistry in Slovakia, and who happened to celebrate their sixtieth birthday in 2002. These pioneers, who were also primarily responsible for the organization of the Workshop, are Professor Petr Čársky, currently Director of the J. Heyrovský Institute of Physical Chemistry of the Academy of Sciences of the Czech Republic, Professor Ivan Hubač, Professor of Chemical Physics in the Division of Chemical Physics of the Faculty of Mathematics and Physics of the Comenius University in Bratislava, and Professor Miroslav (Miro) Urban, Professor of Chemical Physics in the Department of Physical Chemistry of the Faculty of Natural Sciences of the Comenius University. This was a great occasion to celebrate many years of hard work, often in arduous and burdensome conditions, which currently blossomed into the internationally recognized high stature of the Slovak quantum molecular science, as well as a long-standing friendship dating from the days of graduate studies of “the birthday boys.” An occasion most worthy of celebrating. The Seventh European Workshop was attended by about sixty participants and included over thirty plenary talks, organized in topical sessions, as well as more than 20 poster presentations, divided into two Poster Sessions. The topics included the electronic structure studies of potential energy surfaces and their exploitation in mode-selective chemistry, non adiabatic coupling, ro-vibrational spectroscopy, and van der Waals complexes, density functional theory and its exploitation in studies of molecular structures, reactivity and chemical reactions of various systems including DNA bases, spin catalysis in molecular oxygen activation, as well as various studies of relativistic effects. The methodological aspects dealt with massively parallel variational multireference configuration interaction codes as well as with various aspects of the many-body perturbation theory and coupled-cluster approaches. This annual series of workshops included those held previously in Sophia, Uppsala, Marly-le-Roi, Granada, Oxford, and Pisa. The next one will be in Spetses Island in Greece. Professor Aristides Mavridis is heading the local arrangements. We wish to express our sincere gratitude to the Organizing and local Committees for their excellent organization and co-ordination of the Workshop, for providing a pleasant and stimulating millieu for an informal exchange of scientific ideas as well as a rich social program, including a visit of a renaisance fortified castle Červeny Kameň. The Workshop would be hardly possible without the material and financial support by Slovenské Elektrárne, the European Comission for Science, Research and Development (COST-D23 Action), and by the Faculty of Mathematics, Physics and Informatics of the Comenius University. The closing banquet dinner of the Workshop was also an occasion for a festive confering of a joint QSCP Promissing Scientist Prize of CMOA (Center de Mécanique Ondulatoire Appliquée) for “scientific and humane endeavour and achievement.” The 500 Euros Prize and the accompanying Diploma, inscribed with the CMOA logo “Fiat Lux” and motto “Science sans conscience n'est que ruine de l'ame” by François Rabelais, have been awarded to Marcin Hoffmann of the Chemistry Department of the A. Mickiewicz University in Poznan, Poland and to Alexander I. Kuleff of the Institute for Nuclear Research and Nuclear Energy of the Bulgarian Academy of Sciences in Sofia. Our sincere congratulations! Finally, we also wish to thank Professor Erkki Brändas for his perseverance in his painstaking job as a special Editor of these Proceedings.

Récupéré en direct depuis OpenAlex et désinversé. Les résumés ne sont pas conservés dans cette base de données : les index inversés représentent 8,6 Go des 9,3 Go de texte de la base, et le serveur dispose de 13 Go libres.

Comment cette classification a été obtenuedéplier

Prédiction distillée sur la base complète

Imitation des enseignants

Ni prévalence calibrée, ni vérité terrain. Validation humaine à venir. Apprise à partir de 10 348 étiquettes directes de Codex et de 10 348 étiquettes directes de Gemma. Le mode candidate est l'union des têtes enseignantes seuillées; le consensus est leur intersection. Ces sorties portent le statut machine_predicted_unvalidated et ne sont ni des étiquettes humaines ni des étiquettes directes de modèles de pointe.

score de la tête « metaresearch » (Codex)0,000
score de la tête « metaresearch » (Gemma)0,000
Version: codex-gemma-dda1882f352aStatut de validation: machine_predicted_unvalidated
Catégories candidatesaucune
Catégories consensuellesaucune
DomaineSignal candidat: aucune · Signal consensuel: aucune
Devis d'étudeSignal candidat: Expérimental (laboratoire) · Signal consensuel: Expérimental (laboratoire)
GenreSignal candidat: Empirique · Signal consensuel: Empirique
Score de désaccord entre enseignants0,017
Score d'incertitude au seuil0,833

Scores Codex et Gemma par catégorie

CatégorieCodexGemma
Métarecherche0,0000,000
Méta-épidémiologie (sens strict)0,0000,000
Méta-épidémiologie (sens large)0,0000,000
Bibliométrie0,0000,000
Études des sciences et des technologies0,0000,000
Communication savante0,0000,000
Science ouverte0,0010,000
Intégrité de la recherche0,0000,001
Charge utile insuffisante (le modèle a refusé de juger)0,0000,000

Scores machine (provisoires)

Les deux têtes enseignantes du modèle étudiant, lues sur ce travail. Un score ordonne la base pour la relecture; il n'affirme jamais une catégorie, et le statut de validation accompagne chaque rangée tel quel.

Scores de référence d'un modèle non mature (critères de maturité non atteints, 7 itérations). Un score ordonne; il n'affirme jamais une catégorie.

Tête enseignante Opus0,016
Tête enseignante GPT0,261
Écart entre enseignants0,245 · la distance entre les deux têtes enseignantes sur ce seul travail
Statut de validationscore_only:v0-immature-baseline · tel quel depuis la passe de notation : score_only signifie que le nombre peut ordonner les travaux, et qu'aucune étiquette de catégorie n'en découle

Classification

machine, non validée

Prédiction automatique; un appel candidat d’une seule tête enseignante, pas un consensus.

Les modèles n’ont appliqué aucune catégorie : rien dans la taxonomie ne correspondait à ce travail.
Devis d'étudeExpérimental (laboratoire)
Domainenon disponible
GenreEmpirique

Le détail, modèle par modèle et score par score, se trouve en fin de page sous « Comment cette classification a été obtenue ».

En bref

Citations0
Publié2004
Routes d'admission1
Résumé présentoui

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