
SEC (Skill Enhancement Course) Sir Thang
5th Sem Undergraduate, DMU sktn06@gmail.com
WhatsApp No: 6909559307
SCH-005
(IT Skills for Chemist)
Unit 1. IT Skills for Chemists (Credit: 02)
Fundamentals, mathematical functions, polynomial expressions, logarithms, the exponential function, units of a measurement, inter-conversion of units, constants and variables, equation of a straight line, plotting graphs. Uncertainty in experimental techniques: Displaying uncertainties, measurements in chemistry, decimal places, significant figures, combining quantities. Uncertainty in measurement: types of uncertainties, combining uncertainties. Statistical treatment. Mean, standard deviation, relative error. Data reduction and the propagation of errors. Graphical and numerical data reduction. Numerical curve fitting: the method of least squares (regression). Algebraic operations on real scalar variables (e.g., manipulation of van der Waals equation in different forms). Roots of quadratic equations analytically and iteratively (e.g., pH of a weak acid). Numerical methods of finding roots (Newton-Raphson, binary –bisection, e.g., pH of a weak acid not ignoring the ionization of water, volume of a van der Waals gas, equilibrium constant expressions). Differential calculus: The tangent line and the derivative of a function, numerical differentiation (e.g., change in pressure for small change in volume of a van der Waals gas, potentiometric titrations). Numerical integration (Trapezoidal and Simpson’s rule, e.g., entropy/enthalpy change from heat capacity data).
Unit 2. Computer programming:
Constants, variables, bits, bytes, binary and ASCII formats, arithmetic expressions, hierarchy of operations, inbuilt functions. Elements of the BASIC language. BASIC keywords and commands. Logical and relative operators. Strings and graphics. Compiled versus interpreted languages. Debugging. Simple programs using these concepts. Matrix addition and multiplication. Statistical analysis. BASIC/FORTRAN programs for curve fitting, numerical differentiation and integration (Trapezoidal rule, Simpson’s rule), finding roots (quadratic formula, iterative, Newton-Raphson method).
Reference Books
1. McQuarrie, D. A. Mathematics for Physical Chemistry University Science Books (2008).
2. Mortimer, R. Mathematics for Physical Chemistry. 3rd Ed. Elsevier (2005).
3. Steiner, E. The Chemical Maths Book Oxford University Press (1996).
4. Yates, P. Chemical calculations. 2nd Ed. CRC Press (2007).
5. Harris, D. C. Quantitative Chemical Analysis. 6th Ed., Freeman (2007) Chapters 3-5.
6. Levie, R. de, How to use Excel in analytical chemistry and in general scientific data analysis, Cambridge Univ. Press (2001) 487 pages.
7. Noggle, J. H. Physical chemistry on a Microcomputer. Little Brown & Co. (1985).
8. Venit, S.M. Programming in BASIC: Problem solving with structure and style. Jaico Publishing House: Delhi (1996).
Fundamentals
The mathematical fundamentals used by chemists in Information technology (IT) are:
Linear algebra, Calculus, Statistics and Probability, Numerical Methods, Graph theory, Fourier analysis, and Optimization.
Mathematical Functions
The following are examples of mathematical functions:
Polynomial expressions
Logarithms
Exponential function
Units of a measurement & inter-conversion of units
Constants and variables
Equation of a straight line
Plotting graphs
Uncertainty in experimental techniques: Displaying uncertainties
Measurements in chemistry, decimal places, significant figures, combining quantities
Uncertainty in measurement: types of uncertainties, combining uncertainties. Statistical treatment. Mean, standard deviation, relative error. Data reduction and the propagation of errors
Graphical and numerical data reduction. Numerical curve fitting: the method of least squares (regression)
Algebraic operations on real scalar variables (e.g., manipulation of van der Waals equation in different forms)
Roots of quadratic equations analytically and iteratively (e.g., pH of a weak acid)
Numerical methods of finding roots (Newton-Raphson, binary –bisection, e.g., pH of a weak acid not ignoring the ionization of water, volume of a van der Waals gas, equilibrium constant expressions).
Differential calculus: The tangent line and the derivative of a function, numerical differentiation (e.g., change in pressure for small change in volume of a van der Waals gas, potentiometric titrations).
Numerical integration (Trapezoidal and Simpson’s rule, e.g., entropy/enthalpy change from heat capacity data).
SEC (Skill Enhancement Course) Sir Thang
5th Sem Undergraduate, DMU sktn06@gmail.com
WhatsApp No: 6909559307
SCH-005
(IT Skills for Chemist)
Unit 1. IT Skills for Chemists (Credit: 02)
Fundamentals, mathematical functions, polynomial expressions, logarithms, the exponential function, units of a measurement, inter-conversion of units, constants and variables, equation of a straight line, plotting graphs. Uncertainty in experimental techniques: Displaying uncertainties, measurements in chemistry, decimal places, significant figures, combining quantities. Uncertainty in measurement: types of uncertainties, combining uncertainties. Statistical treatment. Mean, standard deviation, relative error. Data reduction and the propagation of errors. Graphical and numerical data reduction. Numerical curve fitting: the method of least squares (regression). Algebraic operations on real scalar variables (e.g., manipulation of van der Waals equation in different forms). Roots of quadratic equations analytically and iteratively (e.g., pH of a weak acid). Numerical methods of finding roots (Newton-Raphson, binary –bisection, e.g., pH of a weak acid not ignoring the ionization of water, volume of a van der Waals gas, equilibrium constant expressions). Differential calculus: The tangent line and the derivative of a function, numerical differentiation (e.g., change in pressure for small change in volume of a van der Waals gas, potentiometric titrations). Numerical integration (Trapezoidal and Simpson’s rule, e.g., entropy/enthalpy change from heat capacity data).
Unit 2. Computer programming:
Constants, variables, bits, bytes, binary and ASCII formats, arithmetic expressions, hierarchy of operations, inbuilt functions. Elements of the BASIC language. BASIC keywords and commands. Logical and relative operators. Strings and graphics. Compiled versus interpreted languages. Debugging. Simple programs using these concepts. Matrix addition and multiplication. Statistical analysis. BASIC/FORTRAN programs for curve fitting, numerical differentiation and integration (Trapezoidal rule, Simpson’s rule), finding roots (quadratic formula, iterative, Newton-Raphson method).
Reference Books
1. McQuarrie, D. A. Mathematics for Physical Chemistry University Science Books (2008).
2. Mortimer, R. Mathematics for Physical Chemistry. 3rd Ed. Elsevier (2005).
3. Steiner, E. The Chemical Maths Book Oxford University Press (1996).
4. Yates, P. Chemical calculations. 2nd Ed. CRC Press (2007).
5. Harris, D. C. Quantitative Chemical Analysis. 6th Ed., Freeman (2007) Chapters 3-5.
6. Levie, R. de, How to use Excel in analytical chemistry and in general scientific data analysis, Cambridge Univ. Press (2001) 487 pages.
7. Noggle, J. H. Physical chemistry on a Microcomputer. Little Brown & Co. (1985).
8. Venit, S.M. Programming in BASIC: Problem solving with structure and style. Jaico Publishing House: Delhi (1996).
Fundamentals
The mathematical fundamentals used by chemists in Information technology (IT) are:
Linear algebra, Calculus, Statistics and Probability, Numerical Methods, Graph theory, Fourier analysis, and Optimization.
Mathematical Functions
The following are examples of mathematical functions:
Polynomial expressions
Logarithms
Exponential function
Units of a measurement & inter-conversion of units
Constants and variables
Equation of a straight line
Plotting graphs
Uncertainty in experimental techniques: Displaying uncertainties
Measurements in chemistry, decimal places, significant figures, combining quantities
Uncertainty in measurement: types of uncertainties, combining uncertainties. Statistical treatment. Mean, standard deviation, relative error. Data reduction and the propagation of errors
Graphical and numerical data reduction. Numerical curve fitting: the method of least squares (regression)
Algebraic operations on real scalar variables (e.g., manipulation of van der Waals equation in different forms)
Roots of quadratic equations analytically and iteratively (e.g., pH of a weak acid)
Numerical methods of finding roots (Newton-Raphson, binary –bisection, e.g., pH of a weak acid not ignoring the ionization of water, volume of a van der Waals gas, equilibrium constant expressions).
Differential calculus: The tangent line and the derivative of a function, numerical differentiation (e.g., change in pressure for small change in volume of a van der Waals gas, potentiometric titrations).
Numerical integration (Trapezoidal and Simpson’s rule, e.g., entropy/enthalpy change from heat capacity data).
SEC (Skill Enhancement Course) Sir Thang
5th Sem Undergraduate, DMU sktn06@gmail.com
WhatsApp No: 6909559307
SCH-005
(IT Skills for Chemist)
Unit 1. IT Skills for Chemists (Credit: 02)
Fundamentals, mathematical functions, polynomial expressions, logarithms, the exponential function, units of a measurement, inter-conversion of units, constants and variables, equation of a straight line, plotting graphs. Uncertainty in experimental techniques: Displaying uncertainties, measurements in chemistry, decimal places, significant figures, combining quantities. Uncertainty in measurement: types of uncertainties, combining uncertainties. Statistical treatment. Mean, standard deviation, relative error. Data reduction and the propagation of errors. Graphical and numerical data reduction. Numerical curve fitting: the method of least squares (regression). Algebraic operations on real scalar variables (e.g., manipulation of van der Waals equation in different forms). Roots of quadratic equations analytically and iteratively (e.g., pH of a weak acid). Numerical methods of finding roots (Newton-Raphson, binary –bisection, e.g., pH of a weak acid not ignoring the ionization of water, volume of a van der Waals gas, equilibrium constant expressions). Differential calculus: The tangent line and the derivative of a function, numerical differentiation (e.g., change in pressure for small change in volume of a van der Waals gas, potentiometric titrations). Numerical integration (Trapezoidal and Simpson’s rule, e.g., entropy/enthalpy change from heat capacity data).
Unit 2. Computer programming:
Constants, variables, bits, bytes, binary and ASCII formats, arithmetic expressions, hierarchy of operations, inbuilt functions. Elements of the BASIC language. BASIC keywords and commands. Logical and relative operators. Strings and graphics. Compiled versus interpreted languages. Debugging. Simple programs using these concepts. Matrix addition and multiplication. Statistical analysis. BASIC/FORTRAN programs for curve fitting, numerical differentiation and integration (Trapezoidal rule, Simpson’s rule), finding roots (quadratic formula, iterative, Newton-Raphson method).
Reference Books
1. McQuarrie, D. A. Mathematics for Physical Chemistry University Science Books (2008).
2. Mortimer, R. Mathematics for Physical Chemistry. 3rd Ed. Elsevier (2005).
3. Steiner, E. The Chemical Maths Book Oxford University Press (1996).
4. Yates, P. Chemical calculations. 2nd Ed. CRC Press (2007).
5. Harris, D. C. Quantitative Chemical Analysis. 6th Ed., Freeman (2007) Chapters 3-5.
6. Levie, R. de, How to use Excel in analytical chemistry and in general scientific data analysis, Cambridge Univ. Press (2001) 487 pages.
7. Noggle, J. H. Physical chemistry on a Microcomputer. Little Brown & Co. (1985).
8. Venit, S.M. Programming in BASIC: Problem solving with structure and style. Jaico Publishing House: Delhi (1996).
Fundamentals
The mathematical fundamentals used by chemists in Information technology (IT) are:
Linear algebra, Calculus, Statistics and Probability, Numerical Methods, Graph theory, Fourier analysis, and Optimization.
Mathematical Functions
The following are examples of mathematical functions:
Polynomial expressions
Logarithms
Exponential function
Units of a measurement & inter-conversion of units
Constants and variables
Equation of a straight line
Plotting graphs
Uncertainty in experimental techniques: Displaying uncertainties
Measurements in chemistry, decimal places, significant figures, combining quantities
Uncertainty in measurement: types of uncertainties, combining uncertainties. Statistical treatment. Mean, standard deviation, relative error. Data reduction and the propagation of errors
Graphical and numerical data reduction. Numerical curve fitting: the method of least squares (regression)
Algebraic operations on real scalar variables (e.g., manipulation of van der Waals equation in different forms)
Roots of quadratic equations analytically and iteratively (e.g., pH of a weak acid)
Numerical methods of finding roots (Newton-Raphson, binary –bisection, e.g., pH of a weak acid not ignoring the ionization of water, volume of a van der Waals gas, equilibrium constant expressions).
Differential calculus: The tangent line and the derivative of a function, numerical differentiation (e.g., change in pressure for small change in volume of a van der Waals gas, potentiometric titrations).
Numerical integration (Trapezoidal and Simpson’s rule, e.g., entropy/enthalpy change from heat capacity data).
SEC (Skill Enhancement Course) Sir Thang
5th Sem Undergraduate, DMU sktn06@gmail.com
WhatsApp No: 6909559307
SCH-005
(IT Skills for Chemist)
Unit 1. IT Skills for Chemists (Credit: 02)
Fundamentals, mathematical functions, polynomial expressions, logarithms, the exponential function, units of a measurement, inter-conversion of units, constants and variables, equation of a straight line, plotting graphs. Uncertainty in experimental techniques: Displaying uncertainties, measurements in chemistry, decimal places, significant figures, combining quantities. Uncertainty in measurement: types of uncertainties, combining uncertainties. Statistical treatment. Mean, standard deviation, relative error. Data reduction and the propagation of errors. Graphical and numerical data reduction. Numerical curve fitting: the method of least squares (regression). Algebraic operations on real scalar variables (e.g., manipulation of van der Waals equation in different forms). Roots of quadratic equations analytically and iteratively (e.g., pH of a weak acid). Numerical methods of finding roots (Newton-Raphson, binary –bisection, e.g., pH of a weak acid not ignoring the ionization of water, volume of a van der Waals gas, equilibrium constant expressions). Differential calculus: The tangent line and the derivative of a function, numerical differentiation (e.g., change in pressure for small change in volume of a van der Waals gas, potentiometric titrations). Numerical integration (Trapezoidal and Simpson’s rule, e.g., entropy/enthalpy change from heat capacity data).
Unit 2. Computer programming:
Constants, variables, bits, bytes, binary and ASCII formats, arithmetic expressions, hierarchy of operations, inbuilt functions. Elements of the BASIC language. BASIC keywords and commands. Logical and relative operators. Strings and graphics. Compiled versus interpreted languages. Debugging. Simple programs using these concepts. Matrix addition and multiplication. Statistical analysis. BASIC/FORTRAN programs for curve fitting, numerical differentiation and integration (Trapezoidal rule, Simpson’s rule), finding roots (quadratic formula, iterative, Newton-Raphson method).
Reference Books
1. McQuarrie, D. A. Mathematics for Physical Chemistry University Science Books (2008).
2. Mortimer, R. Mathematics for Physical Chemistry. 3rd Ed. Elsevier (2005).
3. Steiner, E. The Chemical Maths Book Oxford University Press (1996).
4. Yates, P. Chemical calculations. 2nd Ed. CRC Press (2007).
5. Harris, D. C. Quantitative Chemical Analysis. 6th Ed., Freeman (2007) Chapters 3-5.
6. Levie, R. de, How to use Excel in analytical chemistry and in general scientific data analysis, Cambridge Univ. Press (2001) 487 pages.
7. Noggle, J. H. Physical chemistry on a Microcomputer. Little Brown & Co. (1985).
8. Venit, S.M. Programming in BASIC: Problem solving with structure and style. Jaico Publishing House: Delhi (1996).
Fundamentals
The mathematical fundamentals used by chemists in Information technology (IT) are:
Linear algebra, Calculus, Statistics and Probability, Numerical Methods, Graph theory, Fourier analysis, and Optimization.
Mathematical Functions
The following are examples of mathematical functions:
Polynomial expressions
Logarithms
Exponential function
Units of a measurement & inter-conversion of units
Constants and variables
Equation of a straight line
Plotting graphs
Uncertainty in experimental techniques: Displaying uncertainties
Measurements in chemistry, decimal places, significant figures, combining quantities
Uncertainty in measurement: types of uncertainties, combining uncertainties. Statistical treatment. Mean, standard deviation, relative error. Data reduction and the propagation of errors
Graphical and numerical data reduction. Numerical curve fitting: the method of least squares (regression)
Algebraic operations on real scalar variables (e.g., manipulation of van der Waals equation in different forms)
Roots of quadratic equations analytically and iteratively (e.g., pH of a weak acid)
Numerical methods of finding roots (Newton-Raphson, binary –bisection, e.g., pH of a weak acid not ignoring the ionization of water, volume of a van der Waals gas, equilibrium constant expressions).
Differential calculus: The tangent line and the derivative of a function, numerical differentiation (e.g., change in pressure for small change in volume of a van der Waals gas, potentiometric titrations).
Numerical integration (Trapezoidal and Simpson’s rule, e.g., entropy/enthalpy change from heat capacity data).
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