Implementation of general classical force field and their applicability for simple organic systems

Computational chemistry is crucial in scientific research and industry for understanding molecular structure and interactions. However, its effectiveness depends on factors like computational cost and accuracy. Quantum mechanical (QM) methods offer high accuracy but are computationally demanding, es...

• Yazar: Gallegos Estrada, Carlos Francisco (author)
• Materyal Türü: bachelorThesis
• Dil: eng
• Baskı/Yayın Bilgisi: 2024
• Konular: Química computacional; Moleculas orgánicas; Computational chemistry; Organic molecules; Dreiding
• Online Erişim: http://repositorio.yachaytech.edu.ec/handle/123456789/830