Theoretical and computational chemistry

Theoretical and computational chemistry

This book explores the applications of computational chemistry ranging from the pharmaceutical industry and molecular structure determination to spectroscopy and astrophysics. The authors detail how calculations can be used to solve a wide range of practical challenges encountered in research and in...

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Bibliographic Details
Other Authors: Gulaczyk, Iwona (Contributor, https://id.loc.gov/vocabulary/relators/ctb), Tylkowski, Bartosz (Contributor, https://id.loc.gov/vocabulary/relators/ctb), Dermendzhieva, Nadezhda (Contributor, https://id.loc.gov/vocabulary/relators/ctb), Dutkiewicz, Zbigniew (Contributor, https://id.loc.gov/vocabulary/relators/ctb), Dzhonova, Daniela (Contributor, https://id.loc.gov/vocabulary/relators/ctb), Gaitho, Francis M. (Contributor, https://id.loc.gov/vocabulary/relators/ctb), Garcia-Valls, Ricard (Contributor, https://id.loc.gov/vocabulary/relators/ctb), Hoffmann, Marcin (Contributor, https://id.loc.gov/vocabulary/relators/ctb), Kleiner, Isabelle (Contributor, https://id.loc.gov/vocabulary/relators/ctb), Kręglewski, Marek (Contributor, https://id.loc.gov/vocabulary/relators/ctb), Mola, Genene T. (Contributor, https://id.loc.gov/vocabulary/relators/ctb), Montornés, Josep M. (Contributor, https://id.loc.gov/vocabulary/relators/ctb), Nguyen, Ha Vinh Lam (Contributor, https://id.loc.gov/vocabulary/relators/ctb), Olkiewicz, Magdalena (Contributor, https://id.loc.gov/vocabulary/relators/ctb), Panyovska, Stela (Contributor, https://id.loc.gov/vocabulary/relators/ctb), Pellicane, Giuseppe (Contributor, https://id.loc.gov/vocabulary/relators/ctb), Pluskota-Karwatka, Donata (Contributor, https://id.loc.gov/vocabulary/relators/ctb), Staszak, Maciej (Contributor, https://id.loc.gov/vocabulary/relators/ctb), Tsibranska, Irene (Contributor, https://id.loc.gov/vocabulary/relators/ctb), Vlaev, Serafim (Contributor, https://id.loc.gov/vocabulary/relators/ctb)
Format: eBook
Language:English
Published: Berlin ; Boston De Gruyter, [2021]
Subjects:
Computational chemistry.
Chemistry > Data processing.
Cheminformatics.
Chimio-informatique.
Technology & Engineering > Chemical & Biochemical.
EBSCO eBooks
Online Access:https://www.lib.tsu.ru/mminfo/2023/EBSCO/2999320.pdf
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020 |a 3110678217  |q (electronic book) 
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024 7 |a 10.1515/9783110678215  |2 doi 
050 4 |a QD39.3.E46  |b T44 2021 
072 7 |a TEC009010  |2 bisacsh 
082 0 4 |a 542/.85  |2 23 
049 |a MAIN 
245 0 0 |a Theoretical and computational chemistry  |c edited by Iwona Gulaczyk and Bartosz Tylkowski. 
264 1 |a Berlin ;  |a Boston  |b De Gruyter,  |c [2021] 
264 4 |c ©2021 
300 |a 1 online resource (XII, 258 pages) 
347 |a text file 
347 |b PDF 
505 0 0 |t Frontmatter --  |t Preface --  |t Contents --  |t List of contributing authors --  |t 1 Computational methods for calculation of protein-ligand binding affinities in structure-based drug design --  |t 2 Understanding (coupled) large amplitude motions: the interplay of microwave spectroscopy, spectral modeling, and quantum chemistry --  |t 3 Floppy molecules--their internal dynamics, spectroscopy and applications --  |t 4 Computational studies on statins photoactivity --  |t 5 Artificial intelligence in the modeling of chemical reactions kinetics --  |t 6 Modelling of enzyme kinetics: cellulose enzymatic hydrolysis case --  |t 7 Computational approach to the study of morphological properties of polymer/fullerene blends in photovoltaics --  |t 8 Modeling and assessment of the transfer effectiveness in integrated bioreactor with membrane separation --  |t Index. 
520 |a This book explores the applications of computational chemistry ranging from the pharmaceutical industry and molecular structure determination to spectroscopy and astrophysics. The authors detail how calculations can be used to solve a wide range of practical challenges encountered in research and industry. 
546 |a In English. 
588 0 |a Online resource; title from digital title page (viewed on July 07, 2021). 
504 |a Includes bibliographical references and index. 
653 0 |a Computational chemistry. 
653 0 |a Chemistry  |x Data processing. 
653 0 |a Cheminformatics. 
653 6 |a Chimio-informatique. 
653 7 |a Technology & Engineering  |x Chemical & Biochemical.  |2 bisacsh 
653 7 |a Chemistry  |x Data processing.  |2 fast  |0 (OCoLC)fst00853366 
653 7 |a Computational chemistry.  |2 fast  |0 (OCoLC)fst02021097 
655 4 |a EBSCO eBooks 
700 1 |a Gulaczyk, Iwona, 
700 1 |a Tylkowski, Bartosz, 
700 1 |a Dermendzhieva, Nadezhda,  |4 ctb  |4 https://id.loc.gov/vocabulary/relators/ctb 
700 1 |a Dutkiewicz, Zbigniew,  |4 ctb  |4 https://id.loc.gov/vocabulary/relators/ctb 
700 1 |a Dzhonova, Daniela,  |4 ctb  |4 https://id.loc.gov/vocabulary/relators/ctb 
700 1 |a Gaitho, Francis M.,  |4 ctb  |4 https://id.loc.gov/vocabulary/relators/ctb 
700 1 |a Garcia-Valls, Ricard,  |4 ctb  |4 https://id.loc.gov/vocabulary/relators/ctb 
700 1 |a Gulaczyk, Iwona,  |4 ctb  |4 https://id.loc.gov/vocabulary/relators/ctb 
700 1 |a Hoffmann, Marcin,  |4 ctb  |4 https://id.loc.gov/vocabulary/relators/ctb 
700 1 |a Kleiner, Isabelle,  |4 ctb  |4 https://id.loc.gov/vocabulary/relators/ctb 
700 1 |a Kręglewski, Marek,  |4 ctb  |4 https://id.loc.gov/vocabulary/relators/ctb 
700 1 |a Mola, Genene T.,  |4 ctb  |4 https://id.loc.gov/vocabulary/relators/ctb 
700 1 |a Montornés, Josep M.,  |4 ctb  |4 https://id.loc.gov/vocabulary/relators/ctb 
700 1 |a Nguyen, Ha Vinh Lam,  |4 ctb  |4 https://id.loc.gov/vocabulary/relators/ctb 
700 1 |a Olkiewicz, Magdalena,  |4 ctb  |4 https://id.loc.gov/vocabulary/relators/ctb 
700 1 |a Panyovska, Stela,  |4 ctb  |4 https://id.loc.gov/vocabulary/relators/ctb 
700 1 |a Pellicane, Giuseppe,  |4 ctb  |4 https://id.loc.gov/vocabulary/relators/ctb 
700 1 |a Pluskota-Karwatka, Donata,  |4 ctb  |4 https://id.loc.gov/vocabulary/relators/ctb 
700 1 |a Staszak, Maciej,  |4 ctb  |4 https://id.loc.gov/vocabulary/relators/ctb 
700 1 |a Tsibranska, Irene,  |4 ctb  |4 https://id.loc.gov/vocabulary/relators/ctb 
700 1 |a Tylkowski, Bartosz,  |4 ctb  |4 https://id.loc.gov/vocabulary/relators/ctb 
700 1 |a Vlaev, Serafim,  |4 ctb  |4 https://id.loc.gov/vocabulary/relators/ctb 
776 0 8 |i Print version:  |z 9783110678284 
776 0 8 |i Print version:  |z 9783110678154 
856 4 0 |u https://www.lib.tsu.ru/mminfo/2023/EBSCO/2999320.pdf 
999 |c 1010524  |d 1010524 

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