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· 제목 : Quantum Chemical and Molecular Dynamics Simulations for Beginners (Hardcover, 1)
· 분류 : 외국도서 > 과학/수학/생태 > 과학 > 화학 > 물리화학
· ISBN : 9781032619286
· 쪽수 : 248쪽
· 출판일 : 2025-12-23
· 분류 : 외국도서 > 과학/수학/생태 > 과학 > 화학 > 물리화학
· ISBN : 9781032619286
· 쪽수 : 248쪽
· 출판일 : 2025-12-23
목차
1.Introduction to Gauss View and Gaussian 2. Spectroscopy Analysis 3. Natural Bonding Orbital and Frontier Molecular Orbital Analysis 4. Solvation Studies 5. Transition State Analysis 6. Introduction to Molecular Dynamics Simulation 7. NAMD Simulation Setup 8. Case Study of Molecular Dynamics Simulation 9. Post-simulation Analysis
