CH418-syllabus-11 - CH418 Computational Chemistry: (Spring...

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CH418 Computational Chemistry : (Spring 2011) Time and Location : Tu. Th. 1:00, Rm xxx Instructor: Yoon Sup Lee( ) Rm. 1103 Ext 2821 yslee@kaist.edu TA: Rm. 1119 Ext. 2861 Topic : Modeling Chemistry with Quantum Chemical Calculations Introductory course in computational quantum chemistry will be given covering popular methods in computational chemistry. In addition to the lecture based on the textbook, practice sessions will be based on course materials provided by WebMO, and using G03(or G09), GaussView and WebMO programs installed on LINUX machines. Molecular mechanics and related simulations will be carried out with TINKER and FFE packages. Text : C. J. Cramer, ‘Essentials of computational chemistry (Theory and models)’ 2nd Course Materials : 1) WebMO user’s guide ( www.webmo.net ) KAIST site: spin.kaist.ac.kr 2) TINKER user guide, FFE user guide 3) GaussView reference 4) Exploring chemistry with electronic structure method 5) Gaussian03 user’s reference (copies of 3,4,5 available with deposit)
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This note was uploaded on 06/28/2011 for the course CH 418 taught by Professor Yoonsuplee during the Spring '11 term at Korea Advanced Institute of Science and Technology.

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CH418-syllabus-11 - CH418 Computational Chemistry: (Spring...

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