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Fasoula, S.; Nikitas, P.; Pappa-Louisi, A. – Journal of Chemical Education, 2017
A series of Microsoft Excel spreadsheets were developed to simulate the process of separation optimization under isocratic and simple gradient conditions. The optimization procedure is performed in a stepwise fashion using simple macros for an automatic application of this approach. The proposed optimization approach involves modeling of the peak…
Descriptors: Simulation, Spreadsheets, Chemistry, Science Laboratories
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Pye, Cory C.; Mercer, Colin J. – Journal of Chemical Education, 2012
The symbolic algebra program Maple and the spreadsheet Microsoft Excel were used in an attempt to reproduce the Gaussian fits to a Slater-type orbital, required to construct the popular STO-NG basis sets. The successes and pitfalls encountered in such an approach are chronicled. (Contains 1 table and 3 figures.)
Descriptors: Algebra, College Science, Science Instruction, Spreadsheets
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Joshi, Bhairav D. – Journal of Computers in Mathematics and Science Teaching, 1993
Describes two general spreadsheet templates to carry out all types of one-equation chemical equilibrium calculations encountered by students in undergraduate chemistry courses. Algorithms, templates, macros, and representative examples are presented to illustrate the approach. (PR)
Descriptors: Chemical Equilibrium, Chemistry, College Science, Computer Assisted Instruction
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Kari, Roy – Journal of Computers in Mathematics and Science Teaching, 1990
Described are several spreadsheet templates which use the functions of iteration and logical look-up which allow students to calculate and graph quantum mechanical functions and to simulate rotational and vibrational energy level and spectra. The templates are listed in the appendix. (KR)
Descriptors: Chemistry, College Science, Computation, Computer Assisted Instruction
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Batt, Russell H., Ed. – Journal of Chemical Education, 1990
Described is how spreadsheet and problem solver microcomputer programs may assist students in performing mathematical calculations. Discussed is the application of the equation solver "MathCAD" to various areas in the undergraduate curriculum. (KR)
Descriptors: Chemistry, College Science, Computation, Computer Assisted Instruction
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Misovich, Michael; Biasca, Karyn – Chemical Engineering Education, 1991
Discussed are the possible uses of spreadsheets in the undergraduate curriculum in chemical engineering classes. The advantages and flexibility of spreadsheets, spreadsheet instruction, graphing capabilities, assignment examples, and conclusions are described. (KR)
Descriptors: Chemical Engineering, Chemistry, College Science, Computation