Kimia Komputasi

Tahun Akademik:
Genap 2021/2022
Kelas-Offr:
G-G
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

  • Menguasai secara komprehensif prinsip dasar dan metode kimia komputasi serta dapat menggunakan berbagai metode perhitungan kimia komputasi untuk menentukan struktur dan kereaktifan sistem kimia

Daftar Pustaka:

  • Steven M. Bachrach, 2014. Computational Organic Chemistry, 2nd edition. John Wiley & Sons, Inc

  • 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

  • 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