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Taschenbuch. Condition: Neu. Druck auf Anfrage Neuware - Printed after ordering - Seminar paper from the year 2020 in the subject Chemistry - Bio-chemistry, , language: English, abstract: This study involved the assessment of the MNI2SX/Def2TZVP and the MNI2SX models to enhance the understanding of the structural composition of marine peptide Hemisterline derivatives A and B used in cancer treatment.The Conceptual Density Functional theory was used in the calculation of molecular properties of the system chemical descriptors during the study. Integration of the active molecular regions into their respective Fukui functions was used in the selection of radical, electrophilic, and nucleophilic attacks.Additionally, the proposed correlation between global hardness and the pKa was used as the basis of deriving accurate predictions for the pKa values while a homology technique was used in the prediction of bioactivity and bioavailability scores of the peptides under investigation.
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Taschenbuch. Condition: Neu. Chemical Reactivity and Bioactivity Rates Of Marine Peptides Hemiasterlin Derivatives. Cancer Treatment Through Conceptual Density Functional Theory | Washington Mutwiri | Taschenbuch | 24 S. | Englisch | 2020 | GRIN Verlag | EAN 9783346190109 | Verantwortliche Person für die EU: GRIN Publishing GmbH, Waltherstr. 23, 80337 München, info[at]grin[dot]com | Anbieter: preigu.
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Conceptual Density Functional Theory and Its Application in the Chemical Domain
Language: English
Published by Apple Academic Press, 2021
ISBN 10: 1774635321 ISBN 13: 9781774635322
Condition: As New. Unread book in perfect condition.
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Conceptual Density Functional Theory and Its Application in the Chemical Domain
Language: English
Published by Apple Academic Press, 2021
ISBN 10: 1774635321 ISBN 13: 9781774635322
Condition: New.
-
Conceptual Density Functional Theory and Its Application in the Chemical Domain 1st Edition
Language: English
Published by Apple Academic Press, 2021
ISBN 10: 1774635321 ISBN 13: 9781774635322
Condition: New.
-
Conceptual Density Functional Theory and Its Application in the Chemical Domain 1st Edition
Language: English
Published by Apple Academic Press, 2021
ISBN 10: 1774635321 ISBN 13: 9781774635322
Condition: New.
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Conceptual Density Functional Theory and Its Application in the Chemical Domain
Language: English
Published by Apple Academic Press, 2021
ISBN 10: 1774635321 ISBN 13: 9781774635322
Seller: GreatBookPricesUK, Woodford Green, United Kingdom
Seller rating 5 out of 5 stars
Condition: As New. Unread book in perfect condition.
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Conceptual Density Functional Theory and Its Application in the Chemical Domain
Language: English
Published by Apple Academic Press, 2021
ISBN 10: 1774635321 ISBN 13: 9781774635322
Seller: GreatBookPricesUK, Woodford Green, United Kingdom
Seller rating 5 out of 5 stars
Condition: New.
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Conceptual Density Functional Theory and Its Application in the Chemical Domain
Language: English
Published by Apple Academic Press, 2021
ISBN 10: 1774635321 ISBN 13: 9781774635322
Seller: Ria Christie Collections, Uxbridge, United Kingdom
Seller rating 5 out of 5 stars
£ 100.33
£ 11.98 shipping
Ships from United Kingdom to U.S.A.Quantity: Over 20 available
Add to basketCondition: New. In.
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Conceptual Density Functional Theory and Its Application in the Chemical Domain
Language: English
Published by Apple Academic Press Inc., 2021
ISBN 10: 1774635321 ISBN 13: 9781774635322
Seller: THE SAINT BOOKSTORE, Southport, United Kingdom
Seller rating 5 out of 5 stars
Paperback / softback. Condition: New. New copy - Usually dispatched within 4 working days.
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Studies on Bonding, Reactivity, Aromaticity and Toxicity | A Conceptual Density Functional Theory (DFT) Approach
Language: English
Published by LAP LAMBERT Academic Publishing, 2012
ISBN 10: 3846587788 ISBN 13: 9783846587782
Taschenbuch. Condition: Neu. Studies on Bonding, Reactivity, Aromaticity and Toxicity | A Conceptual Density Functional Theory (DFT) Approach | Debesh Ranjan Roy | Taschenbuch | 220 S. | Englisch | 2012 | LAP LAMBERT Academic Publishing | EAN 9783846587782 | Verantwortliche Person für die EU: BoD - Books on Demand, In de Tarpen 42, 22848 Norderstedt, info[at]bod[dot]de | Anbieter: preigu.
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Conceptual Density Functional Theory and Its Application in the Chemical Domain
Language: English
Published by Apple Academic Press, 2018
ISBN 10: 177188665X ISBN 13: 9781771886659
Condition: As New. Unread book in perfect condition.
-
Conceptual Density Functional Theory and Its Application in the Chemical Domain
Language: English
Published by Apple Academic Pr Inc, 2021
ISBN 10: 1774635321 ISBN 13: 9781774635322
Paperback. Condition: Brand New. 422 pages. 9.01x5.98x0.87 inches. In Stock.
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Conceptual Density Functional Theory and Its Application in the Chemical Domain
Language: English
Published by Apple Academic Press, 2018
ISBN 10: 177188665X ISBN 13: 9781771886659
Seller: GreatBookPricesUK, Woodford Green, United Kingdom
Seller rating 5 out of 5 stars
Condition: As New. Unread book in perfect condition.
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Conceptual Density Functional Theory and Its Application in the Chemical Domain
Language: English
Published by Apple Academic Press, 2018
ISBN 10: 177188665X ISBN 13: 9781771886659
Condition: New.
-
Conceptual Density Functional Theory and Its Application in the Chemical Domain
Language: English
Published by Apple Academic Press, 2018
ISBN 10: 177188665X ISBN 13: 9781771886659
Condition: New.
-
Conceptual Density Functional Theory and Its Application in the Chemical Domain
Language: English
Published by Apple Academic Press, 2018
ISBN 10: 177188665X ISBN 13: 9781771886659
Condition: New.
-
Conceptual Density Functional Theory and Its Application in the Chemical Domain
Language: English
Published by Apple Academic Press, 2018
ISBN 10: 177188665X ISBN 13: 9781771886659
Seller: GreatBookPricesUK, Woodford Green, United Kingdom
Seller rating 5 out of 5 stars
Condition: New.
-
Conceptual Density Functional Theory and Its Application in the Chemical Domain
Language: English
Published by Apple Academic Press Inc., 2018
ISBN 10: 177188665X ISBN 13: 9781771886659
Seller: THE SAINT BOOKSTORE, Southport, United Kingdom
Seller rating 5 out of 5 stars
Hardback. Condition: New. New copy - Usually dispatched within 4 working days.
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Studies on Bonding, Reactivity, Aromaticity and Toxicity: A Conceptual Density Functional Theory (DFT) Approach
Language: English
Published by LAP LAMBERT Academic Publishing, 2012
ISBN 10: 3846587788 ISBN 13: 9783846587782
Paperback. Condition: Like New. LIKE NEW. SHIPS FROM MULTIPLE LOCATIONS. book.
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Conceptual Density Functional Theory and Its Application in
Language: English
Published by Apple Academic Press, 2018
ISBN 10: 177188665X ISBN 13: 9781771886659
Gebunden. Condition: New. Nazmul Islam, PhD, is now working as an assistant professor in the Department of Basic Sciences and Humanities at Techno Global-Balurghat (now Techno India-Balurghat), Balurghat, D. Dinajpur, India. He has published more than 60 research papers in severa.
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Conceptual Density Functional Theory and Its Application in the Chemical Domain
Language: English
Published by Apple Academic Press Inc. Jul 2018, 2018
ISBN 10: 177188665X ISBN 13: 9781771886659
Buch. Condition: Neu. Neuware.
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Gebunden. Condition: New. Dr. Shubin Liu is a Senior Computational Scientist at the Research Computing Center, University of North Carolina at Chapel Hill. He obtained his Ph.D. degree with Robert G. Parr in 1996 and postdoctoral training with Weitao Yang of Duke University. He has .
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Chemical Reactivity and Bioactivity Rates Of Marine Peptides Hemiasterlin Derivatives. Cancer Treatment Through Conceptual Density Functional Theory
Language: English
Published by GRIN Verlag Jul 2020, 2020
ISBN 10: 3346190102 ISBN 13: 9783346190109
Seller: BuchWeltWeit Ludwig Meier e.K., Bergisch Gladbach, Germany
Seller rating 5 out of 5 stars
Taschenbuch. Condition: Neu. This item is printed on demand - it takes 3-4 days longer - Neuware -Seminar paper from the year 2020 in the subject Chemistry - Bio-chemistry, , language: English, abstract: This study involved the assessment of the MNI2SX/Def2TZVP and the MNI2SX models to enhance the understanding of the structural composition of marine peptide Hemisterline derivatives A and B used in cancer treatment.The Conceptual Density Functional theory was used in the calculation of molecular properties of the system chemical descriptors during the study. Integration of the active molecular regions into their respective Fukui functions was used in the selection of radical, electrophilic, and nucleophilic attacks.Additionally, the proposed correlation between global hardness and the pKa was used as the basis of deriving accurate predictions for the pKa values while a homology technique was used in the prediction of bioactivity and bioavailability scores of the peptides under investigation. 24 pp. Englisch.
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Chemical Reactivity and Bioactivity Rates Of Marine Peptides Hemiasterlin Derivatives. Cancer Treatment Through Conceptual Density Functional Theory
Language: English
Published by GRIN Verlag, GRIN Verlag Jul 2020, 2020
ISBN 10: 3346190102 ISBN 13: 9783346190109
Seller: buchversandmimpf2000, Emtmannsberg, BAYE, Germany
Seller rating 5 out of 5 stars
Taschenbuch. Condition: Neu. This item is printed on demand - Print on Demand Titel. Neuware -Seminar paper from the year 2020 in the subject Chemistry - Bio-chemistry, , language: English, abstract: This study involved the assessment of the MNI2SX/Def2TZVP and the MNI2SX models to enhance the understanding of the structural composition of marine peptide Hemisterline derivatives A and B used in cancer treatment. The Conceptual Density Functional theory was used in the calculation of molecular properties of the system chemical descriptors during the study. Integration of the active molecular regions into their respective Fukui functions was used in the selection of radical, electrophilic, and nucleophilic attacks. Additionally, the proposed correlation between global hardness and the pKa was used as the basis of deriving accurate predictions for the pKa values while a homology technique was used in the prediction of bioactivity and bioavailability scores of the peptides under investigation.GRIN Publishing GmbH, Waltherstraße 23, 80337 München 24 pp. Englisch.
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Conceptual Density Functional Theory and Its Application in the Chemical Domain
Language: English
Published by Apple Academic Press, 2021
ISBN 10: 1774635321 ISBN 13: 9781774635322
Seller: PBShop.store UK, Fairford, GLOS, United Kingdom
Seller rating 5 out of 5 stars
£ 101.94
£ 4.16 shipping
Ships from United Kingdom to U.S.A.Quantity: Over 20 available
Add to basketPAP. Condition: New. New Book. Delivered from our UK warehouse in 4 to 14 business days. THIS BOOK IS PRINTED ON DEMAND. Established seller since 2000.
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Conceptual Density Functional Theory and Its Application in the Chemical Domain
Language: English
Published by Apple Academic Press, 2021
ISBN 10: 1774635321 ISBN 13: 9781774635322
PAP. Condition: New. New Book. Shipped from UK. THIS BOOK IS PRINTED ON DEMAND. Established seller since 2000.
-
Conceptual Density Functional Theory and Its Application in the Chemical Domain 1st Edition
Language: English
Published by Apple Academic Press, 2021
ISBN 10: 1774635321 ISBN 13: 9781774635322
Condition: New. PRINT ON DEMAND.
-
Studies on Bonding, Reactivity, Aromaticity and Toxicity : A Conceptual Density Functional Theory (DFT) Approach
Language: English
Published by LAP LAMBERT Academic Publishing, 2012
ISBN 10: 3846587788 ISBN 13: 9783846587782
Taschenbuch. Condition: Neu. nach der Bestellung gedruckt Neuware - Printed after ordering - The book presents a detail study on searching of potential metal cluster motifs, e.g., aluminum, beryllium clusters and their various complex compounds, useful for designing novel nanostructures. The efficacy of such cluster units to be used as possible lead components of molecular electronic devices is also investigated in detail employing a newly proposed reactivity descriptor, viz., nucleo(electro)philic excess. The behavior of DFT based local and global reactivity descriptors around the transition state of various thermochemical reactions are studied in detail. The potential of quantum chemical reactivity descriptors in explaining biological activity of various sex hormones, e.g., testosterone, estrogen etc. and toxicity of a series of aliphatic and aromatic compounds including Polyaromatic hydrocarbons (PAHs) are explored in detail.
