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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 - Softcover
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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
Verlag:
LAP LAMBERT Academic Publishing Mrz 2020, 2020
ISBN 10: 6202512245
ISBN 13: 9786202512244
Neu
Taschenbuch
Anbieter: BuchWeltWeit Ludwig Meier e.K., Bergisch Gladbach, Deutschland
Verkäuferbewertung 5 von 5 Sternen
Taschenbuch. Zustand: 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. Bestandsnummer des Verkäufers 9786202512244
Anzahl: 2 verfügbar
Foto des Verkäufers
In Silico studies of Charge Transfer Complexes of Bio-Active molecules
Verlag:
LAP LAMBERT Academic Publishing, 2020
ISBN 10: 6202512245
ISBN 13: 9786202512244
Neu
Softcover
Anbieter: moluna, Greven, Deutschland
Verkäuferbewertung 4 von 5 Sternen
Zustand: New. Bestandsnummer des Verkäufers 385945040
Anzahl: Mehr als 20 verfügbar
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In Silico studies of Charge Transfer Complexes of Bio-Active molecules
Verlag:
LAP LAMBERT Academic Publishing Mär 2020, 2020
ISBN 10: 6202512245
ISBN 13: 9786202512244
Neu
Taschenbuch
Anbieter: buchversandmimpf2000, Emtmannsberg, BAYE, Deutschland
Verkäuferbewertung 5 von 5 Sternen
Taschenbuch. Zustand: 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. Bestandsnummer des Verkäufers 9786202512244
Anzahl: 2 verfügbar
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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
Verlag:
LAP LAMBERT Academic Publishing, 2020
ISBN 10: 6202512245
ISBN 13: 9786202512244
Neu
Taschenbuch
Anbieter: AHA-BUCH GmbH, Einbeck, Deutschland
Verkäuferbewertung 5 von 5 Sternen
Taschenbuch. Zustand: 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). Bestandsnummer des Verkäufers 9786202512244
Anzahl: 1 verfügbar