Is there any difference between using Gaussian distribution and pseudo Voigt profile in the curve fitting of XPS data?

Recently, I have written a Python program, which can fit the XPS data to a Gaussian distribution. The sample I used in XPS experiment is PMMA. The data were fit well to the Gaussian distribution...

05 June 2015 964 3 View

What command do I use when I want to calculate the surface tension on GROMACS?

I have a system with two interfaces, and I would like to calculate the surface tension.

09 October 2014 9,175 1 View

In GROMACS, is it possible to select the atoms according to their Cartesian coordinates?

I would like to select the atoms according to their z coordinates. For instance, if I want to select all the atoms with the z coordinate values equal to or larger than 50 Angstroms (I do not care...

08 September 2014 300 3 View

Is the characteristic ratio of a polymer dependent on its density?

It is well known that the characteristic ratio can be used for the analytic calculation of end-to-end distance and the gyration radius of a polymer with a Gaussian coil structure. The...

08 September 2014 1,954 3 View

How should I edit the index file for the calculation of order parameter of polymer carbon backbone using g_order on GROMACS?

The gromacs manual says that the order parameter is calculated by inputting the angle between a vector and the z axis into an equation. So, if I would like to calculate the order parameter of the...

07 August 2014 1,217 12 View

Where can I find the literature values of the barrier energy between the trans and gauche conformations of all different types of polymer?

For example, the barrier height between the trans and gauche conformation of polyethylene is 10kJ/mol (about 2.5RT), which means that the C-C bond of the backbone can be rotated quite easily. I...

07 August 2014 4,441 1 View

How can I use the final structure of one simulation as the initial structure for another simulation on GROMACS?

Say, I have performed a NVT simulation, and have got a trajectory file. After that, I would like to extract the final frame and change the dimension of the system, and use it for another NVT...

06 July 2014 6,140 5 View

How can I plot the energy as a function of torsion angle on GROMACS?

Which command do I need to use? To my knowledge, the g_angle and g_energy commands can only plots the torsional energy as a function of simulation time.

06 July 2014 8,274 1 View

Is there any work in the literature comparing the surface tension of spin-cast thin film of PMMA with different tacticities?

If I prepare thin films of atactic and isotactic PMMA by spin-coating method and measure contact angles of deionized water on these films under room condition, are the contact angles of these two...

06 July 2014 5,044 1 View

Do we need to write protocol for a second study of a systematic review that has been registered and published?

I have conducted and published a systematic review and meta-analysis research with the topic related to public health and health pomotion (protocol was registed in PROSPERO). Now we want to...

03 March 2021 8,920 3 View

Ideas for Phd's Thesis on pricing (Marketing)?

Hi everyone, I'm studying Marketing and I would like to write my PhD thesis on the topic of pricing. Any specific ideas?

02 March 2021 9,706 5 View

How to write a scientific report?

We are analysing scientific reports at University in great detail, so I wanted to find a scientific report about how to write a scientific report. Including detail such as what information to put...

02 March 2021 7,602 4 View

Could any one guide me, to write research proposal for grant? ?

We have one plant, the local people using this for controlling blood sugar, the toxicity and antidiabetic activity of the plant is not reported yet, please guide from whag should be the process ?...

02 March 2021 2,300 1 View

Energy minimization in LAMMPS using NVT ?

How do I do energy minimization in lammps with NVT ensemble ? I am using the following command and it does not seem to work. It stops at extremely high energy and gives me the error zero search...

01 March 2021 2,294 3 View

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01 March 2021 3,905 5 View

How to Balance Bench work with Reading and Writing?

I am a second-year grad student. I am finding it difficult finding time to read literature and write (things like qualifying exam, thesis, grants). I find myself so busy with bench work that I...

01 March 2021 3,325 4 View

Which software is better to write systematic review paper?

We have seen some authors use some software to write review paper. As obvious, the study of all published papers concerning our studying field is not possible and these software can help us to...

27 February 2021 6,296 1 View

How can we raise the figure when we writing a paper with Latex ?

Hi, everyone. I'm a starter to write a paper by Latex. But I have some difficulty using it. I'm writing the paper with 2 columns. And, there is one figure that occupies the 2 both-sides. I want to...

26 February 2021 3,738 3 View

Has anyone experienced changes in growth for cell culture when purchasing media from different companies?

I recently switched the company where we buy our DMEM/F12 and i have noticed a signficant change in growth for my human olfactory neurosphere cell lines

24 February 2021 2,268 3 View