How three dimensional configuration of atoms determines color of molecule ?

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What is the unit of light pollution ?

How light can be polluted

09 October 2019 2,867 5 View

What are the problems tissue engineered dental enamel and dentin could not be created in desired shape and size ?

This could prove to be a good alternative treatment for dental caries

09 October 2019 8,947 2 View

Which are the second line treatment drugs shifted to first line of treatment of epilepsy in human?

What are the new drugs supposed to treat epilepsy

08 September 2019 2,951 5 View

How to identify the sources of enzymes in analytical chemistry of biological processes in human?

Presence and quantification of enzymes is possible but source determining is difficult as source may be microbial/ viral/ healthy or diseased tissue

07 August 2019 1,813 4 View

What are the effects of extreme fluorosis on health/ histological pictures of dental pulp in human teeth?

Fluorosis is affecting osseous tissue and may result in crippling situation of person with difficulties in walking

07 August 2019 9,676 3 View

How much is the atmospheric pressure in sky distant from the planets and satellite?

Has anyone ever tried to see this pressure

06 July 2019 3,339 3 View

In which spectrum of electromagnetic radiation dark energy belongs?

Dark energy may be towards transparency and difficult to see

06 July 2019 1,294 2 View

How much is the change in size of molecules in gaseous state under extreme pressure and vacuum?

Under pressure and vacuum molecular motions are known but size is unknown as far as I am having knowledge

06 July 2019 3,794 3 View

The temperature difference between malignant lesion of internal organ and surrounding healthy tissue and malignant and benign tumours in human ?

How to measure the temperature during surgery in sterile area and which instrument is suitable for this

03 April 2019 3,219 1 View

The images of sun in day time and noon are real or refracted?

In water wooden stick will show two components of image one without refraction/ real and one refracted What is the status of sun we are seeing

03 April 2019 5,356 4 View

How to analyze a particular region of my simulation box in GROMACS?

Hi, I am using GROMACS 5.1.4 to simulate water in contact with a surface. I am only interested to calculate some properties of water near the surface. Let's say at a distance of x nm from the...

03 March 2021 9,989 2 View

Why almost every element would be metallized in sufficiently high pressure and low temperature?

(This statement is from wikipedia, BTW). What is so special about metallic bond that is limiting high-P low-T state of a matter (as long as individual atoms exist, not white dwarf of neutron star...

02 March 2021 3,309 2 View

Ester cleavage conditions?

Hi all, I need to cleave the ester in Ethyl 2-amino-1H-imidazole-5-carboxylate to make the carboxylic acid and retrieve the product from solution to use in downstream applications of linking to...

01 March 2021 8,766 3 View

Is it efficient to do liquid biopsy to investigate the gene expressions of the tumor?

To do liquid biopsy and look for specific gene expressions there are so many published papers. Thera are different protocols and procedures used to isolate circulating cell free RNA or mRNA from...

23 February 2021 7,326 5 View

How to formulate Energy minimization in Molecular dynamics simulation for alloys using meam potential?

during MD simulation, the atoms are not moving as per required. The problem (as per my observation) lies in energy minimization technique. upon application of tensile strain in x or y direction,...

22 February 2021 380 5 View

Alternative to mediation analysis?

I am currently working on my dissertation and want to explore the role of competence as a mediator between the effect of colour of clothes on voting intention (focus on Western countries)....

21 February 2021 8,609 1 View

Color of spiro-ometad film?

What does the color of a spiro-ometad film indicate? I got purple, green, red, even black color of the spiro film. Is there anything we can get from the preliminary color analysis(e.g. oxidation...

21 February 2021 1,831 4 View

Magnetismic Gravity in the universe?

MAGNETISMIC GRAVITY What is magnetism? Something magnetic has a + and - charge. If 2 + or - are pushed if + and - are pulled. But what is the main reason for this? Why does magnetism have a pull...

21 February 2021 9,538 3 View

Has anyone succeeded in capturing uranium atoms in a fullerene structure?

Additional questions are: What are the encapsulating atoms? How difficult was the process and what rates were achieved? What factors most seriously affect the economics?

20 February 2021 3,134 5 View

How to get the vector of a specific vibration mode in phonon dispersion?

For example, I have this phonon dispersion(Fig. 1), and now I would like get vector of atoms which describes TA1 in P. I know v_sim can show vibrational animation of specific mode, but I do not...

20 February 2021 4,332 4 View

Andrei Rogoza

Check for related topic on ResearchGate: https://www.researchgate.net/post/How_can_I_calculate_a_UV-Vis_Spectrum_using_Gaussian_03 (it is in gas phase), also for spectra calculations is condensed phase (solvents) https://www.google.ru/?gfe_rd=cr&ei=JM7YV-mEHYeEYIHPnrAK&gws_rd=ssl#newwindow=1&q=VIS+spectra+calculation