What's good practice in establishing Peer Review in graduate level MSc/PhD courses?

Recently, we have been asked to establish a Peer Review mechanism for graduate level seminars at the MSc/PhD level. The focus is to engage the student audience to participate more fully in the...

07 August 2018 3,131 5 View

Should a PhD mentor be present during the defense of a student?

There are many different formats for establishing an evaluation committee for PhD students. Some include the presence of the mentor, while others explicitly exclude the mentors presence. What is...

06 July 2018 2,210 17 View

Whats the best practice for evaluating an MSc Thesis?

Evaluating an MSc Thesis typically involves a presentation from the student, a Q&A session and a thorough review of the Thesis itself. But what are best practices? What if a mark has to be...

04 May 2018 2,969 3 View

Is it Correct to Use Student Course Evaluations to Judge Academic Performance?

Evaluating academic faculty for promotions often include assessing their teaching abilities. Is it sensible to base these on Student Course Evaluations? Geoffrey Alderman wrote in the Gaurdian...

03 April 2018 1,025 42 View

Top 5 ways to improve the resolution of an EPR signal?

I'd like to know the to 5 ways to improve the resolution of an EPR signal to enable the observation of hyperfine splittings. ideally, low cost and practical, easy to do quickly techniques would be...

02 March 2018 685 6 View

How can I work out how many electrons are involved in each peak of a standard cyclic voltagramme?

I have to determine how many electrons are involved in each reduction peak in a cyclic voltagramme of a poly quinoidal system. I do not have access to polarography. Can I use computational (DFT)...

07 August 2017 4,355 16 View

Negative Absorption in UV-vis Spectroscopy, is this Real?

We have a series of heterocyclic compounds that appear to be giving a strongly negative absorption in the UV-vis. We have run the compounds on several instruments and also checked different cells....

03 April 2017 6,361 10 View

Why are thiocarbonyls more coloured than their oxo analogues?

I have two simple heterocycles that contain a ketone group. Both these compounds are colourless. The analogous thiones are yellow in dilute solution but are deeply colored in the solid state, one...

10 November 2014 3,521 15 View

How can computations using Gaussian (TD/DFT) give a HOMO to LUMO transition with a higher energy than a HOMO to LUMO + 1 transition?

Calculations using Gaussian software at TD-B3LYP 6311G (d) give a lower energy HOMO to LUMO+1 transition than the HOMO to LUMO. The molecule under study is an uncharged closed shell...

31 December 2013 1,638 7 View

Does having Section Heads within a Department of Chemistry improve teaching standards?

So I work in a small chemistry department with only 15 academic faculty. Everyone pretty much does what they want at the undergraduate level of teaching without any sort of feedback from...

03 April 2013 5,778 4 View

error in running a model in Abaqus

Excessive rotation of nodes in node set ErrNodeExcessRotation-Step1

17 August 2021 0 0 View

error in modelling model in Abaqus

Excessive rotation of nodes in node set ErrNodeExcessRotation-Step1

17 August 2021 0 0 View

MD MOE RMSD

How to calculate the RMSD values for a MD simulation using MOE?

07 August 2021 0 0 View

MD MOE RMSD

How to calculate the RMSD values for a MD simulation using MOE?

07 August 2021 0 0 View

MGL tools

20 June 2021 0 0 View

fatal error

When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.

16 June 2021 0 0 View

fatal error

When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.

16 June 2021 0 0 View

fatal error

When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.

16 June 2021 0 0 View

fatal error

When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.

16 June 2021 0 0 View

How climate change will influences human and animal behavioral change?

The role of climate change influencing the human behavior as well as economics interest

01 June 2021 0 0 View