Now showing items 21-30 of 42
(Spoken Tutorial IIT Bombay, 2016-04-05)
Outline: Define stereoisomerism; Define conformational isomerism; Show conformations of 1,2-dichloroethane; Show conformations of cyclohexane; Define geometrical isomerism; Demonstrate geomertical isomerism; ...
(Spoken Tutorial IIT Bombay, 2016-03-01)
Outline: How to configure Avogadro; Show Intermolecular hydrogen bonding; Show Intramolecular hydrogen bonding; Measure length of hydrogen bonds; Show Force display type in water molecules; Show dipole moments ...
Iterative calculations and Plotting Graphs
(Spoken Tutorial IIT Bombay, 2013-10-16)
Outline: Using for loops in ASCEND; Defining Arrays in models; Plotting graphs in ASCEND. Pre-requisite: Simulating flowsheet
(Spoken Tutorial IIT Bombay, 2013-06-15)
Outline: Modeling a mixer in ASCEND; Modeling a reactor in ASCEND; Connecting different components of a flowsheet; Simulating a flowsheet. Pre-requisite: Solving Cubic EOS
(Spoken Tutorial IIT Bombay, 2016-03-28)
Outline: * Prepare input files for computational chemistry programmes such as: GAMESS, Gaussian, MOPAC, NWChem etc.; * View Molecular orbitals and calculated IR spectrum using output files generated from GAMESS ...
Overview of Avogadro
(Spoken Tutorial IIT Bombay, 2018-07-18)
Outline: About Avogadro software; Download and installation of Avogadro in Windows OS; Download and installation of Avogadro in Mac OSX; Download and installation of Avogadro in Ubuntu Linux; Open documentation ...
(Spoken Tutorial IIT Bombay, 2015-12-17)
Outline: Import Molecules from chemical database; Rotate the molecules; Zoom in and zoom out the structures; Build molecules on the Panel using Draw tool; Set up force field and optimize the geometry using ...
(Spoken Tutorial IIT Bombay, 2015-12-22)
Outline: Add and delete atoms; Add and delete bonds; Rotate bonds and change length of the bond; Change hydrogen to methyl group; Copy, paste and join structures. Pre-requisite: Build molecules
General Features in Avogadro
(Spoken Tutorial IIT Bombay, 2016-06-05)
Outline: Proton transfer in compounds by changing pH values; Load crystal structures from Crystal library; Explain about Miller indices and planes; Show various Miller planes in crystal systems; Build super cell ...
Introduction to Data Frames in R
(Spoken Tutorial IIT Bombay, 2013-09-14)
Outline: Storing captaincy information in vectors; Constructing a data frame using vectors; Plotting one vector of a data frame vs. another one; Adding a vector to a data frame; Saving a data frame into a csv ...