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In Silico studies of Charge Transfer Complexes of Bio-Active molecules: In Silico Studies of Charge Transfer Complexes of Bio-Active molecules with ... molecules with Iodine as ¿ - acceptor - Brossura
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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).
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In Silico studies of Charge Transfer Complexes of Bio-Active molecules
Editore:
LAP LAMBERT Academic Publishing Mrz 2020, 2020
ISBN 10: 6202512245
ISBN 13: 9786202512244
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Da: BuchWeltWeit Ludwig Meier e.K., Bergisch Gladbach, Germania
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Taschenbuch. Condizione: Neu. 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. Codice articolo 9786202512244
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In Silico studies of Charge Transfer Complexes of Bio-Active molecules
Editore:
LAP LAMBERT Academic Publishing, 2020
ISBN 10: 6202512245
ISBN 13: 9786202512244
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In Silico studies of Charge Transfer Complexes of Bio-Active molecules
Editore:
LAP LAMBERT Academic Publishing Mär 2020, 2020
ISBN 10: 6202512245
ISBN 13: 9786202512244
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Taschenbuch
Da: buchversandmimpf2000, Emtmannsberg, BAYE, Germania
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Taschenbuch. Condizione: Neu. 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).Books on Demand GmbH, Überseering 33, 22297 Hamburg 52 pp. Englisch. Codice articolo 9786202512244
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In Silico studies of Charge Transfer Complexes of Bio-Active molecules : In Silico Studies of Charge Transfer Complexes of Bio-Active molecules with Iodine as ¿ ¿ acceptor
Editore:
LAP LAMBERT Academic Publishing, 2020
ISBN 10: 6202512245
ISBN 13: 9786202512244
Nuovo
Taschenbuch
Da: AHA-BUCH GmbH, Einbeck, Germania
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Taschenbuch. Condizione: Neu. nach der Bestellung gedruckt Neuware - Printed after ordering - 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). Codice articolo 9786202512244
Quantità: 1 disponibili