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On the Earth, oxygen molecules are generated mostly via the photosynthesis by green plants and algae from carbon dioxide and water: nCO2 + nH2O light→ (CH2O)n + nO2 [1]. Although, theoretical studies showed the possibility of O2 production via CO2 fragmentation [2] and experimental investigations achieved the detection of C+ (referring the creation of O2 on the other side) [3], the direct observation...
Der Einsatz der Computational Chemistry hat in den letzten Jahren sprunghaft zugenommen. Ihr Einfluss auf das Gebiet der Theoretischen Chemie ist parallel zur Entwicklung digitaler Computer verlaufen. Heutzutage ist zumindest ein grundlegendes Verständnis dieses Gebietes für Chemiker zwingend erforderlich und sollte auch für die Praktiker der Computational Sciences verfügbar sein. Das Hauptaugenmerk...
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