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azonOnto:comment "Zasób zawiera pliki związane z zadaniami dotyczącymi obliczeń energii oddziaływania w pakiecie Gaussian.\\nZe względu na warunki licencji programu Gaussian baza danych zawiera jedynie w przypadku dimeru HCN (HCN_dimer-interaction_energy-MP2-6-311++G_d,p-Gaussian*.log) pełne, przykładowe pliki wynikowe. Dodatkowo zostały usunięte z nich wszelkie informacje dotyczące czasu obliczeń oraz wykorzystanych zasobów. We wszystkich pozostałych przypadkach pliki wynikowe zawierają jedynie wartości energii oddziaływania, lub całkowitych energii elektronowych niezbędnych do jej uzyskania. Opis bazy danych znajduje si w pliku Gausian_PL.docx."@pl ;
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azonOnto:description "W udostępnianym zasobie znajdują się informacje na temat sposobów obliczania całkowitej energii oddziaływania w pakiecie Gaussian. Krótki skrypt wprowadzający pojęcie energii oddziaływania, oraz opisujący strukturę plików wsadowych i wynikowych, zilustrowany został licznymi przykładami obliczeń. Są to obliczenia energii oddziaływania kompleksów molekularnych związanych międzycząsteczkowym wiązaniem wodorowym."@pl ;
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