How correctly import molecule data to LAMMPS format?

Dear Lammps/MD experts, I am going to model an epoxy resine structure with Lammps. The initial structure of epoxy resin (Epon resin 862) is available online in for example in CDXML format (as...

09 November 2020 1,080 3 View

Does anybody have experimental data on compression of TiO2-anatase particles?

Dear ceramics experts, I need to verify my MD simulation results with experiment. I have modeled compression behavior of TiO2-anatase nanoparticle (30/40 nm) under different crystallographic...

09 November 2020 6,391 4 View

How to preform a plain quantum calculations ?

Dear QM experts, I am going to perform a simple QM calculation from my resulted MD structures in order to analysis their photoelectric properties. But unfortunately I am new in the area and I...

06 December 2018 3,837 4 View

Is it possible that a microbe stimulates plant growth (PGP), but produces an abnormal protein in the plant?

Is it possible that a microbe (such as a bacterium) stimulates plant growth, but in proteomics studies it turns out that this bacterium produces an abnormal protein in the plant? For example,...

23 September 2018 1,670 3 View

What strategies and techniques do politicians use in order to save or protect their face in political interviews?

Many researchers have studied political interviews to investigate what strategies politicians employ in order to present a positive face. Bull and Mayer (1993) examined how politicians equivocate...

18 March 2018 1,657 3 View

How do politicians save face in political interviews?

07 February 2017 4,048 8 View

COVID-19, nervous system and the brain...

Considering the COVID-19 pandemic and the widespread effect of the infection on different organs and systems, new evidence is adding up to the potential influence of COVID-19 effects on emergence...

01 January 1970 2,830 9 View

Is gender-oriented biological or medical research equal to a biased study?

Most of biological and medical investigations choose to involve either male or female (rarely both) subjects to study. To merely include subjects from one gender (particularly males in rodent...

01 January 1970 837 8 View

New hypothesis for Alzheimer's disease etiology: Long-lived proteins and Lysosomal failure

For decades the AD theory of accumulation of A beta plaques and phosphorylated tau tangles has dominated the research on AD. Notwithstanding the tremendous amount of exciting studies in the field,...

01 January 1970 4,200 3 View

How to delaminate copper in water-based anodes?

Hello everyone, I'm looking for a way to delaminate copper current collector of water-based anodes in Li-ion batteries without damaging the graphite film. I tried different materials such as HNO3...

24 February 2021 3,785 3 View

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23 February 2021 4,014 3 View

How to improve dissolution of neosome?

I have made neosome from herbal drug. Neosomes are stable. But I face problems in dissolution. I used minimum ratio of 1:1:0.25 ( Drug:span 60: Cholesterol and GMs. Now how can I active better...

17 February 2021 3,584 1 View

By which mechanism does potassium hyrdoxide works as an activator in the preparation of activated carbon?

Activated carbon is prepared from biomass using KOH as the activating agent. What is the possible reaction between KOH and the biomass?

14 February 2021 8,095 4 View

How does a pH 13 buffer solution containing NaOH/KCl work?

pH 13 Buffer solution is prepared from a strong base sodium hydroxide and potassium chloride salt. However a buffer contain a weak base or weak acid with their salts. What is the purpose of the...

26 January 2021 9,154 1 View

What makes yellow color appear in phosphorus sample after autoclave digestion?

I was using autoclave for digesting water samples for Total phosphorus measurement with ascorbic acid method. The autoclave was set to perform 2 hours digestion and around 121 Celsius degrees. I...

25 January 2021 206 3 View

Does anyone know the pH-differential method?

I use the water method to extract the anthocyanidin from Peristrophe bivalvis (L.) Merr leave, then dilute 20 times with 0.025M potassium chloride, pH1.0 and 0.4M sodium acetate buffer, pH4.5...

20 January 2021 8,305 4 View

Which statistical analysis do I use to compare three data sets with different sample size?

I need to compare the soil phosphorus content in three different locations. I would run an Anova to compare the three data sets (1: 3 data points; 2: 17 data points & 3: 4 data points) to see...

16 January 2021 5,553 14 View

Seperate of organic and inorganic phosphorus in waste water?

Is it possible to separate organic and inorganic phosphorus in wastewater with a filter?

14 January 2021 952 3 View

How we can isolated MnO2 from solid organic product ?

The compound 1,4-dihydro pyridine oxidized in the presence of potassium permanganate and microwave. After oxidation, the organic product and manganese dioxide are formed, and the two substances...

09 January 2021 5,358 4 View