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Questions on Non-Covalent Bonding Interactions in Theoretical Chemistry: a collaborative article project
| Ligne 24 : | Ligne 24 : | ||
** Predictive methods | ** Predictive methods | ||
** Miscellaneous | ** Miscellaneous | ||
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* Next you are invited to include your answer preceded by your name before square brackets after the question. | * Next you are invited to include your answer preceded by your name before square brackets after the question. | ||
Version du 26 novembre 2023 à 17:55
Aim of the Project
The project aims to initiate an open discussion on the vocabulary and concepts used by chemists and quantum chemists involved in the field of weak bonding interactions which often lacks clarity. This collective is inspired by the prvious articles Six questions on topology in theoretical chemistry (Comp. Theor. Chem., 1053,2) and Nine questions on energy decomposition analysis (J. Comp. Chem., 140, 2248) in which the participants were invited to give their opinion on the subject evoked by the question.
Organizers
- M. E. Alikhani,
- L. Joubert,
- B. Silvi (administrator)
- V. Tognetti
- E.-M. Zins
Scientific moderators
Rules of the game
- If you have not already an account on the LCT Wiki please contact the forum administrator[>>mailto:bjhsilvi1@orange.fr?Subject=create_account]. In your mail please indicate the identifier you will use, Once your account is created you will receive a notification. Then update your address in the participants page.
- First you are invited to contribute to the introduction of the article.
- You are invited to post your questions followed by your name between square brackets. The questions are organized in four groups:
- Concepts and vocabulary.
- Characterizations of non-covalent bonding interactions
- Predictive methods
- Miscellaneous
- Next you are invited to include your answer preceded by your name before square brackets after the question.