Kimia Komputasi

Tahun Akademik:
Genap 2024/2025
Kelas-Offr:
I-I
Deskripsi:
(1) Pengantar Kimia Komputasi, (2) Metode Mekanika Molekul, (3) Metode Ab Initio, (4) Metode Semiempiris, (5) Metode DFT, (6) Contoh terapan kimia komputasi untuk: Kimia Organik, Kimia Anorganik, Biokimia, Kimia Material, dan Katalisis
Capaian Pembelajaran

• Memahami macam-macam perangkat keras dan perangkat lunak untuk keperluan kimia komputasi.
• Memahami prinsip dasar berbagai metode kimia komputasi.
• Menguasai macam-macam metode kimia komputasi untuk penentuan struktur dan kereaktifan atau sifat-sifat kimia

Daftar Pustaka:

• Errol G. Lewars. 2016.Computational Chemistry: Introduction to the Theory and Applications of Molecular and Quantum Mechanics, 3ndedition. Springer: New York
• James B. Foresman and Aelen Frisch, 2015.Exploring Chemistry With Electronic Structure Methods. Gaussian, Inc
• Alan Hinchliffe. 2008. Molecular Modeling for Beginners, 2nd edition, John Wiley & Sons Ltd
• Steven M. Bachrach, 2014. Computational Organic Chemistry, 2nd edition. John Wiley & Sons, Inc
• Peter Comba, Trevor W. Humnley, and Bodo Martin, 2009. Molecular Modeling of Inorganic Compounds, 3rd edition, Wiley-VCH Verlag GmbH & Co
• Tsai, C. Stan. 2002. An Introduction to Computational Biochemistry, Wiley-Liss, Inc.
• Aravind Asthagiri and Michael J. Janik, 2014. Computational Catalysis, The Royal Society of Chemistry