02/02/2011: Wednesday

Handin homework:
General Chemistry Test, : Due date 02/11/2011.

Homework to hand in: Handin 1, : Due date 02/04/2011.

02/04/2011: Friday

Read for Tuesday lab:
T1 Determination of beta-ionone.

02/07/2011: Monday

NMR periodic table,
Homework to hand in: Handin 2, : Due date 02/11/2011.

Reading: Atkins Ch 11.1-4
Check out the photos Erwin Schrodinger and Werner Heisenberg,

Homework (not to hand in) Atkins_Ch11 E:8a; 10a; 11a; 16a; 18a; 19a
Reading: Claridge 2.1-2.5.2

02/08/2011: Tuesday

An applet to calculate
Fourier transforms, (by Jeff Clymer)

02/11/2011: Friday

Reading: Atkins 11.5-11.6,12.1-12.3
Atkins_Ch11 P:4; 13; 15; 18; 20; Ch18 E:6a; 8a; 10a; 11a
Reading: Atkins Ch18:18.1-18.5,18.7-18.11
Print off and bring to lab on Tuesday:
MOE Exercises, sections: Checklist for Molecular Mechanics Calculations and Chapts 9 & 10: Dynamics in Small Peptides
Scanning tunneling microscopy: Quantum Electron Corrals

02/14/2011: Monday

Homework to hand in:
Handin 3, : Due date 02/18/2011.

Possible terpinene unknowns,

02/18/2011: Friday

Reading for Tuesday"s Lab:
NOESY Spectroscopy of beta-ionone, and Claridge: 8.1-8.3, 5.1-5.2
Homework to handin: Handin 4, : Due date 02/25/2011.

Reading Atkins Ch 12.4-12.8
Homework (not to hand in): Atkins_Ch11 P:24; Ch12 E:4a; 8a; 10a; P:1; 2; 8; 11; 16

02/21/2011: Monday

Homework (not to hand in): Chapt 12. Exercises: 18a,19a Problems: 18,19,24

02/23/2011: Wednesday

Reading: Atkins Ch 13.1-13.2
Homework to hand in:
Handin 5, Note the Wednesday due date: : Due date 03/02/2011.

Homework (not to hand in): Atkins_Ch13 E: 5a; 6a; 7a(do graphically); 11a; 16a; 16b; P:3; 11; 12; 18

02/25/2011: Friday

Handin due

03/01/2011: Tuesday

Lab assignment:
Calculating NMR Chemical Shifts for beta-Ionone , : Due date 03/10/2011.

03/02/2011: Wednesday

Reading Atkins Ch. 13.3-13.9
Reading: Atkins Ch. 12.9

03/04/2011: Friday

Homework (not to hand in): Atkins Ch. 13 E: 18a, 19a, 20a, 21a, 22a, 23a
Homework (not to hand in): Atkins_Ch.12 P: 5 (perturbation theory)
Test Chapter Sections 11(all); 12.1-12.8; 13.1-13.2

03/07/2011: Monday

Handin homework:
Handin 6, : Due date 03/11/2011.

03/09/2011: Wednesday

Reading: McQuarrie and Simon Ch. 8.8-8.11 and Ch. 11

03/10/2011: Thursday

Lab due

03/11/2011: Friday

Reading: Atkins Ch 14.1, 14.4-14.5
Reading for Tuesday"s lab: "X-ray Diffraction Studies of Powdered Crystals." in R. J. Sime, Physical Chemistry, Exp. 37. (see Library Reserves) Also, Atkins X-ray diffraction sections: Ch 23.1-3(d). Reading due date 03/15/2010

03/14/2011: Monday

Handin homework:
Handin 7, : Due date 03/18/2011.

Reading: Atkins 14.6, 14.2, 14.3

03/18/2011: Friday

Reading: Atkins 14.9
Homework (not to hand in): Ch13. P: 3,11,12,18; Ch14. E: 7a,7b,5a,6b,10b,11a,13a,13b; P: 2,4,8,14,21,22
Make sure to read the Introduction in
Molecular Orbitals for Ozone, pp. 1-5, for Lab on Tuesday after Spring break. Reading due date 03/29/2010.

03/28/2011: Monday

Make sure to bring
MOPAC Molecular Orbital Calculations on Diatomics, to lab on Tuesday
Homework to hand in: Handin 8, (the MOE file is already available on the PC"s in the Schupflab, for Macs the database file is Mutagenicity of Chlorofuranone Derivatives database : Due date 04/01/2011.

For a good review of General Chemistry and Molecular Orbtials and Hybridization check out "Atomic and molecular orbitals" by George I. Sackheim (on reserve in the Science Library)

03/29/2011: Tuesday

Lab today:
Molecular Orbitals for Ozone,
The command file to run Mopac on a Mac using the MOE installed version of Mopac is here: Run MOPAC for OS-X,

03/30/2011: Wednesday

Reading: Atkins 14.7-14.8
Homework (not to hand in): Atkins Ch14. E: 15b; P: 19; Ch. 17. E: 5a
Here"s a tutorial on the Best Lewis Structure portion of the molecular structures database printouts:
NBO Analysis and the Best Lewis Structure,

04/01/2011: Friday

Homework to hand in:
Handin 9: HMO Calculations, Due on Wednesday : Due date 04/06/2011.

Reading for Lab on April 5: Sime, Rodney J , "Physical Chemistry: Methods, Techniques, and Experiments" Exp. 38,pp 738-741 and Exp. 40,pp 759-766 (you also might want to review Sime Exp. 37 pp. 725-733), which are all on electronic reserve. Reading Due date 04/05/2010.
Handin 8 Answers,

04/04/2011: Monday

Chirped pulse Fourier Transform Microwave Spectroscopy,
pulsed FT-microwave, , Brooks Pate Lab, University of Virginia
Review on spin multiplicity and angular momentum; Keyes 102, 6:00 PM

04/05/2011: Tuesday

Here is some help visualizing some
space groups,
Here is some help on understanding structure factors: structure factor applet,

04/06/2011: Wednesday

Handin due

04/08/2011: Friday

Test (PM) Atkins Ch. 13.3-14.9; McQuarrie and Simon: Ch 8.8-8.9(Term Symbols); Ch. 10.3 (Walsh XH2); Ch 11(Computational Chemistry)
For lab on Tuesday:
Vibrational-Rotational Spectroscopy of HCl and DCl, Reading Due Tuesday April 12
Reading: Atkins 16.1-16.12

04/11/2011: Monday

Reading Atkins 16.13-16.17
Homework to hand in:
Handin 10, Oxygen Schumann Runge Band Spread sheet, : Due date 04/15/2011.

04/15/2011: Friday

Here is my discussion of
Electronics Spectroscopy, and the homework answers,

04/18/2011: Monday

Homework to hand in:
Handin 11, : Due date 04/22/2011.

Homework (not to hand in): Ch. 16. E: 7a,8a,11a,15a,16a,19a,20a,22a,23a,26a P: 5,12,15,29

04/20/2011: Wednesday

Reading: Atkins Ch. 17.1-17.4, 17.8-17.10 (Ch. 17.5-17.7 are also very interesting and useful, but we won"t cover them in class.)
Homework (not to hand in): Ch.17 E: 8b,10a,16a P: 1,2,11,12,14,19,20,25,27

04/22/2011: Friday

Reading: Shattuck: Ch. 12.1-12.4; Atkins: Ch. 19

04/25/2011: Monday

Homework (not to hand in): Ch. 19. E: 6a,8a,10a,11b,15a P: 9,14,15,16,18,22
Homework to hand in:
Handin 12, : Due date 04/29/2011.

04/29/2011: Friday

Reading: Atkins Chapter 20
Homework (not to hand in): Ch 20. E: 4a,6a,7a,12b,13a,17a; P: 12
For lab on Tuesday:
Classical Trajectory Calculations, and Atkins Ch. 27.7-27.8: Reading due 5/3/2011
Homework to hand in: Handin 13, (Spreadsheet with constants), : Due date 05/06/2011.

05/02/2011: Monday

Reading: Atkins 27.1-27.2

05/04/2011: Wednesday

Homework (not to hand in): Atkins_Ch27 E:4a; 5a; 7a;
Reading: Atkins 27.4-27.8

05/06/2011: Friday

Homework (not to hand in): Atkins_Ch27 E:13a; 14a; 17a; P:15; 21

05/12/2011: Thursday

Review session 7:00 pm Keyes 102

Homework to hand in, Homework to do, but not hand in.