In Silico studies of Charge Transfer Complexes of Bio-Active molecules

Language: English

Published by LAP LAMBERT Academic Publishing Mrz 2020, 2020

6202512245 / 9786202512244

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Seller: BuchWeltWeit Ludwig Meier e.K., Bergisch Gladbach, GermanyBuchWeltWeit Ludwig Meier e.K.

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Softcover

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This item is printed on demand - it takes 3-4 days longer - Neuware -Driven by a steady improvement of computational hardware and significant progress in ab initio method development, quantum-mechanical approaches can now be applied to study the charge transfer process between bioactive molecules and the acceptor molecules. Accordingly, using General Atomic and Molecular Electronic Structure System (GAMESS) computations as a package of chem Bio 3D ultra 12.0, charge transfer (CT) complexation between 6-(trifluoromethyl) furo [2, 3-b] pyridine-2-carbohydrazides (FP2C) and sigma acceptor iodine (I2) has been studied. MM2 method has been applied at Restricted Hartree-Fock (RHF)/3-21G level for energy optimization of FP2C and Iodine (I2). 52 pp. Englisch.

Seller Inventory # 9786202512244

Title
In Silico studies of Charge Transfer Complexes of Bio-Active molecules
Author
Shirish Kumar Kodadi
Publisher
LAP LAMBERT Academic Publishing Mrz 2020
Publication year
2020
Condition
Neu
Binding
Taschenbuch
Language
English
ISBN 10
6202512245
ISBN 13
9786202512244
Item weight
96 grams
Dimensions
220x150x4 mm

BuchWeltWeit Ludwig Meier e.K.

Bergisch Gladbach, Germany

5-star seller

AbeBooks seller since January 11, 2012

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BuchWeltWeit Ludwig Meier e.K.

Germany