How to calculate the charging area and discharge area from P - E loop?

Respectful Researchers, Can any one please help me to calculate the area II (green color) using origin and / or available software.How can i exact the charge and discharge values from this P - E...

07 August 2018 6,992 2 View

Why polarization decreases on magnetic poling?

05 June 2016 4,044 0 View

Can anyone please help me find the heat capacity from my DSC results?

I am attaching here DSC results of my powder sample. The following are the details of the sample. 1.the sample mass (13.190mg) 2. heating rate (10deg/min) 3. range (-100 to 500c) output files...

11 December 2014 2,553 13 View

How can I calculate the bond length from FTIR results for bulk complex oxides?

For example, if we take the FTIR result of BiFeO3 powder sample, I get peaks at 449.80cm-1 & 593.14cm-1 which conforms the presence of O - Fe - O bending mode and Fe - O stretching mode ( Ref:...

09 October 2014 4,809 4 View

Can anyone help me to calculate the bond length and force constant values using FTIR for solid BiFeO3 Bulk samples?

From the data of wavenumber vs absorbance from FTIR, i find that there are some peaks. from that, the wavelength and angular frequency of the BiFeO3 are calculated , also mass of the Bi, Fe and O...

08 September 2014 1,343 1 View

Compound identification using XRD

While getting a result from XRD single crystalline data, how do I identify the result match with the expected compound. Is there free data available?

04 May 2013 4,068 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

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