Conformational energies of reference organic molecules: benchmarking of common efficient computational methods against coupled cluster theory

to related objects

Location: Deutsche Nationalbibliothek Frankfurt am Main

Extent: 1 Online-Ressource.

Language: Englisch

Bibliographic citation: Conformational energies of reference organic molecules: benchmarking of common efficient computational methods against coupled cluster theory ; volume:37 ; number:12 ; day:19 ; month:8 ; year:2023 ; pages:607-656 ; date:12.2023
Journal of computer aided molecular design ; 37, Heft 12 (19.8.2023), 607-656, 12.2023

Creator: Stylianakis, Ioannis
Zervos, Nikolaos
Lii, Jenn-Huei
Pantazis, Dimitrios A.
Kolocouris, Antonios

Contributor: SpringerLink (Online service)

DOI: 10.1007/s10822-023-00513-5

URN: urn:nbn:de:101:1-2024011721101522726727

Rights: Open Access; Der Zugriff auf das Objekt ist unbeschränkt möglich.

Last update: 15.08.2025, 7:25 AM CEST

Data provider

This object is provided by:
Deutsche Nationalbibliothek. If you have any questions about the object, please contact the data provider.

Show original at data provider

Associated

Stylianakis, Ioannis
Zervos, Nikolaos
Lii, Jenn-Huei
Pantazis, Dimitrios A.
Kolocouris, Antonios
SpringerLink (Online service)

Other Objects (12)

Correction to: Conformational energies of reference organic molecules: benchmarking of common efficient computational methods against coupled cluster theory

Crystal cohesion and conformational energies

Machine Learning Estimates of Natural Product Conformational Energies

Excitation energies and response properties of molecules using internally contracted multireference coupled cluster methods

Conformational study on the structures and energies of the weakly bound complexes of AlCl3 with diatomic molecules

Hochschulschrift

Conformational variability of MHC class I molecules

Hochschulschrift

Conformational variability of MHC class I molecules

COVER: conformational oversampling as data augmentation for molecules

Accurate GW frontier orbital energies of 134 kilo molecules

Calculating free energies of organic molecules on insulating substrates

Conformational spectroscopy of flexible chain molecules near the folding limit

Correction to: Conformational energies of reference organic molecules: benchmarking of common efficient computational methods against coupled cluster theory

Crystal cohesion and conformational energies

Machine Learning Estimates of Natural Product Conformational Energies

Excitation energies and response properties of molecules using internally contracted multireference coupled cluster methods

Conformational study on the structures and energies of the weakly bound complexes of AlCl3 with diatomic molecules

Hochschulschrift

Conformational variability of MHC class I molecules

Hochschulschrift

Conformational variability of MHC class I molecules

COVER: conformational oversampling as data augmentation for molecules

Accurate GW frontier orbital energies of 134 kilo molecules

Calculating free energies of organic molecules on insulating substrates

Conformational spectroscopy of flexible chain molecules near the folding limit

Correction to: Conformational energies of reference organic molecules: benchmarking of common efficient computational methods against coupled cluster theory

Crystal cohesion and conformational energies

Machine Learning Estimates of Natural Product Conformational Energies

Excitation energies and response properties of molecules using internally contracted multireference coupled cluster methods

Conformational study on the structures and energies of the weakly bound complexes of AlCl3 with diatomic molecules

Hochschulschrift

Conformational variability of MHC class I molecules

Hochschulschrift

Conformational variability of MHC class I molecules

COVER: conformational oversampling as data augmentation for molecules

Accurate GW frontier orbital energies of 134 kilo molecules

Calculating free energies of organic molecules on insulating substrates

Conformational spectroscopy of flexible chain molecules near the folding limit

Cultural heritage institutions wishing to register will find more information here.

Fields marked * need to be filled in.

Username*

Please enter your username

Email*

Please enter your email address

Please do not fill this field

First name

Last name

Password*

Please enter your password

Confirm password*

Please enter the same password

I have read the terms of use and the privacy policy for the collection of personal data and accept them. *

This field is required.

I would like to subscribe to the newsletter of the Deutsche Digitale Bibliothek. See newsletter subscription info.

Account created

Your "My DDB" account has been successfully created. Before you can log in to your account, you must click the confirmation link in the message we just sent to the email address you provided.

Conformational energies of reference organic molecules: benchmarking of common efficient computational methods against coupled cluster theory

Object Details

References and Relationships

Contributors, Places and Time

Further information

Data provider

Associated

Other Objects (12)

Correction to: Conformational energies of reference organic molecules: benchmarking of common efficient computational methods against coupled cluster theory

Crystal cohesion and conformational energies

Machine Learning Estimates of Natural Product Conformational Energies

Excitation energies and response properties of molecules using internally contracted multireference coupled cluster methods

Conformational study on the structures and energies of the weakly bound complexes of AlCl3 with diatomic molecules

Conformational study on the structures and energies of the weakly bound complexes of AlCl3 with diatomic molecules

Conformational variability of MHC class I molecules

Conformational variability of MHC class I molecules

COVER: conformational oversampling as data augmentation for molecules

Accurate GW frontier orbital energies of 134 kilo molecules

Calculating free energies of organic molecules on insulating substrates

Conformational spectroscopy of flexible chain molecules near the folding limit

Correction to: Conformational energies of reference organic molecules: benchmarking of common efficient computational methods against coupled cluster theory

Crystal cohesion and conformational energies

Machine Learning Estimates of Natural Product Conformational Energies

Excitation energies and response properties of molecules using internally contracted multireference coupled cluster methods

Conformational study on the structures and energies of the weakly bound complexes of AlCl3 with diatomic molecules

Conformational study on the structures and energies of the weakly bound complexes of AlCl3 with diatomic molecules

Conformational variability of MHC class I molecules

Conformational variability of MHC class I molecules

COVER: conformational oversampling as data augmentation for molecules

Accurate GW frontier orbital energies of 134 kilo molecules

Calculating free energies of organic molecules on insulating substrates

Conformational spectroscopy of flexible chain molecules near the folding limit

Correction to: Conformational energies of reference organic molecules: benchmarking of common efficient computational methods against coupled cluster theory

Crystal cohesion and conformational energies

Machine Learning Estimates of Natural Product Conformational Energies

Excitation energies and response properties of molecules using internally contracted multireference coupled cluster methods

Conformational study on the structures and energies of the weakly bound complexes of AlCl3 with diatomic molecules

Conformational study on the structures and energies of the weakly bound complexes of AlCl3 with diatomic molecules

Conformational variability of MHC class I molecules

Conformational variability of MHC class I molecules

COVER: conformational oversampling as data augmentation for molecules

Accurate GW frontier orbital energies of 134 kilo molecules

Calculating free energies of organic molecules on insulating substrates

Conformational spectroscopy of flexible chain molecules near the folding limit

Related objects

Reset password