| Autore |
Gulaczyk Iwona
|
| Pubbl/distr/stampa |
Berlin ; ; Boston, MA : , : Walter de Gruyter GmbH, , [2021]
|
| Descrizione fisica |
1 online resource (XII, 258 p.)
|
| Disciplina |
542.85
|
| Soggetto topico |
Chemistry - Data processing
Cryochemistry
|
| ISBN |
3-11-067821-7
|
| Formato |
Materiale a stampa  |
| Livello bibliografico |
Monografia |
| Lingua di pubblicazione |
eng
|
| Nota di contenuto |
Frontmatter -- Preface -- Contents -- List of contributing authors -- 1 Computational methods for calculation of protein-ligand binding affinities in structure-based drug design -- 2 Understanding (coupled) large amplitude motions: the interplay of microwave spectroscopy, spectral modeling, and quantum chemistry -- 3 Floppy molecules—their internal dynamics, spectroscopy and applications -- 4 Computational studies on statins photoactivity -- 5 Artificial intelligence in the modeling of chemical reactions kinetics -- 6 Modelling of enzyme kinetics: cellulose enzymatic hydrolysis case -- 7 Computational approach to the study of morphological properties of polymer/fullerene blends in photovoltaics -- 8 Modeling and assessment of the transfer effectiveness in integrated bioreactor with membrane separation -- Index
|
| Record Nr. | UNINA-9910554259903321 |
Info
Theoretical and computational chemistry : applications in industry, pharma, and materials science / / Iwona Gulaczyk, Bartosz Tylkowski
