In Gaussian, how to calculate energy of a low-spin antiferromagnetically coupled binuclear complex?

Dear colleagues, I would like to ask you for help. I have been trying to calculate the energy of a binuclear Cr(II) organometallic complex, where the Cr(II) atoms are connected via hydride...

08 November 2020 563 2 View

Should I test for HWE in dataset of inbred animals without random mating?

Hi, I am doing a GWAS analysis of european bison's a dog's SNPs. Right now I am doing multiple data clean up, according to previous studies and what I have learned. I was thinking, if it is ok to...

18 March 2020 3,103 3 View

Does anybody know an sientific/empirically paper about psychological requirements in teamsports (e.g. ballsports)?

I am writing my Bachelor thesis about psychological requirements in volleyball. I appreciate any help I could get :) Thank you so much

08 February 2020 5,728 4 View

How to compare the results of variation partitioning for two diferent communities?

12 September 2019 6,578 1 View

How actual physical thickness (AOT) of Si02 can be calculated from effective oxide thickness (EOT) ?

As we all know if the EOT of a device is 3nm that doesn't mean that the actual oxide thickness is 3nm. so my question is how we can calculate the Actual oxide thickness (Physical ) of SiO2 from a...

28 July 2019 3,996 1 View

How can the efficiency of soft annealing on aluminium conductor be controled?

How can the wire producer or the customer control the effectivnes of annealing process to get enough soft wire? Are there some limit values of mechanical properties to test Al-conductor class2...

11 December 2018 4,824 5 View

MiRNA RT-PCR curve from nativ sample (blood isolate) dont match synthetic miRNA PCR curve?

20 April 2017 7,826 2 View

What statistical test to use to find out what taxa significantly differ between several treatments?

20 December 2016 6,444 4 View

No title

when is the counterstaining with haematoxylin good?

31 October 2016 5,499 3 View

V5 His tag N terminal mammalian expression?

Hi, I`m looking for a plasmid to subclone into a mammalian system. It should have V5 and a His tag on N-terminus. Any suggestions?

14 September 2016 2,576 5 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

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

flexibility of polymers chain

effect of double bond on the flexibility of polymers

07 April 2021 0 0 View

Formulation of polymer color flakes

I am writing to request some information for making polymer color flakes. I would appreciate the help.

17 March 2021 0 0 View

I am interested in medicinal chemistry field, which books are highly recommended to learn from?

I am at the beginner level in drug design and drug discovery, and I am interested to learn more about this field. Which books are highly recommended to start from and gives me all essential...

02 March 2021 8,437 2 View

How Relativistic effects is one reason for lanthanide contraction?

The Lanthanide contraction which is the decrease in ionic radii of the elements in the lanthanide series from atomic number 57, lanthanum, to 71, lutetium, is due to poor shielding of the 4f...

01 March 2021 2,272 4 View