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191200 of 76009 results
191.
Dotter displays graphically the similarity of DNA or protein sequence to itself or another sequence.
Description
Dotter affiche graphiquement les similitudes dans l'ADN, les séquences de protéines ou d'autres séquences.
Translated by Michael Vogt
Located in Package: acedb-other-dotter
192.
Advanced Concepts in Electronic Structure III
Summary
concepts avancés en structure électronique III
Translated by Michael Vogt
Located in Package: aces3-data Package: aces3
193.
ACESIII is an electronic structure calculation program with a focus on correlated methods. It is the parallel successor to ACESII, employing the Super Instruction Assembly Language (SIAL) as parallelization framework. Features include:
Summary
ACESIII est un programme de calcul de structure électronique qui utilise les méthodes corrélées. Il est le successeur parallèle de ACESII qui utilise le langage assemblé de super-instruction (SIAL) comme cadre applicatif de parallélisation. Ses fonctionnalités sont[nbsp]:
Translated by Michael Vogt
Located in Package: aces3
194.
Energies, analytic gradients and analytic hessians for the following methods:
* Restricted/unrestricted spin or restricted open-shell Hartree-Fock (HF)
* Second-order Moeller-Plesset pertubation theory (MP2)
Description
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Énergies, gradients analytiques et hessiens analytiques pour les méthodes suivantes[nbsp]:
* Spin restreint/non restreint ou méthode de Hartree-Fock restreinte pour couche ouverte (HF)
* Théorie de perturbation de Moeller-Plesset du second ordre (MP2)
Translated by Sylvie Gallet
Reviewed by Pierre Slamich
Located in Package: aces3
195.
Energies and analytic gradients for the following methods:
* Coupled cluster singles and doubles (CCSD)
Description
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Énergies et gradients analytiques pour les méthodes suivantes[nbsp]:
* Clusters couplés avec excitations simples et doubles (CCDS)
Translated by Sylvie Gallet
Reviewed by Pierre Slamich
Located in Package: aces3
196.
Additionally, it can compute energies for the following methods:
* Coupled cluster singles and doubles with pertubative triples (CCSD(T))
* Quadratic configuration-interaction singles and doubles (QCISD)
Description
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En outre, il est possible de calculer les énergies pour les méthodes suivantes[nbsp]:
* Clusters couplés avec excitations simples et doubles et triple perturbation (CCSD(T))
* Interaction de configuration quadratique simple et double (QCISD)
Translated by Sylvie Gallet
Reviewed by Pierre Slamich
Located in Package: aces3
197.
Excited states can be calculated by the following methods:
* Qadratic configuration interaction singles and doubles
* Coupled cluster equation-of-motion (EOM-CC)
Description
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Les états excités peuvent être calculés par les méthodes suivantes[nbsp]:
* Interaction de configuration quadratique simple et double
* Cluster couplé de l'équation de mouvement (EOM-CC)
Translated by Sylvie Gallet
Reviewed by Pierre Slamich
Located in Package: aces3
198.
It also includes an internal coordinate geometry optimizer. If analytic gradients are not available, numerical gradients via finite differences are used.
Description
Il fournit également un optimiseur interne de coordonnées géométriques. Si les gradients analytiques ne sont pas disponibles, des gradients numériques par des différences finies sont utilisés.
Translated by Michael Vogt
Located in Package: aces3
199.
feature-rich application to mount and manage CD and DVD images
Summary
application pour monter et gérer des images de CD et DVD
Translated by Michael Vogt
Located in Package: acetoneiso
200.
AcetoneISO makes it possible to easily use various kinds of CD and DVD images on your computer as if they were burned to real CDs. You can use the application to mount and manage CD and DVD images. Supported disc-image formats are ISO, BIN, NRG, MDF and IMG.
Description
AcetoneISO permet d'utiliser divers types d'images CD et DVD sans réellement les graver sur CD. Cette application permet de monter et gérer les images de CD et DVD. Les formats gérés sont SO, BIN, NRG, MDF et IMG.
Translated by Michael Vogt
Located in Package: acetoneiso
191200 of 76009 results

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