Gaussian Optimization Resulting in Unexpected Bend in Structure?

I have been trying to optimize a structure utilizing the ONIOM method of optimization with high level ground state MP2 6-31G d,p and low level ground state 3-21 settings. However, the optimized...

08 February 2020 2,599 2 View

How to make Dragon 7 software detect aromatic structures?

I have a problem while calculating molecular descriptors with Dragon 7. My structures are drawn in Avogadro and optimized with Gaussian. After this step, my structures look like the one I uploaded...

18 January 2020 934 1 View

Is GM the answer?

How can GM technologies serve enough food for the human population which is growing rapidly every year and if we compare with sociocultural aspect of human, poverty and planting areas? Maybe we...

15 December 2018 1,874 1 View

Does anyone have a good reference for using QQ-plots for imputing left censored data?

26 June 2016 1,877 6 View

Is the Thermal Insulation of Buildings Misbelief or Answer of the Problem?

25 August 2014 947 7 View

Does anyone know of new articles that discuss the peer review process?

I have been trying to develop guidance for my group for doing thorough peer reviews. Would like to get some input from other groups

05 March 2013 7,314 13 View

What thickness need for ITO to use as conductive layer?

I want to do RF sputtering of ITO on glass substrate using magnetron sputtering. what thickness do i need to make it good conductive layer to use it for PSC. Moreover, whats about thickness of...

01 March 2021 395 3 View

Glass fiber content in a gypsum board ?

Any idea on how to get the volumic ratio of glass fiber in a gypsum board ? Thank you for your help !

01 March 2021 2,501 3 View

Concrete compressive strength databases?

I am looking for datasets similar to this one: http://archive.ics.uci.edu/ml/datasets/Concrete+Compressive+Strength I am looking for concretes with different types of aggregates (Recycled,...

27 February 2021 6,801 3 View

How to compare 2 samples recruited with different sampling methods?

If I want to compare characteristics of 2 groups of patients, one group is recruited from a random sample of the general public while another group is from a sample with a fixed gender (male to...

26 February 2021 3,526 3 View

How to properly calculate the fluid solid heat transfer between polypropylene matrix and glass fiber in a porous medium?

I'm building a cfx model of thermoplastic pultrusion process on ansys and i have a doubt on how is the proper way to set this parameter in a porous medium

24 February 2021 1,915 1 View

How to properly calculate Interfacial area density in a porous domain?which are possible value for glass fiber?

I'm doing a cfx simulation of a multiphase flow in pultrusion and i set the Interfacial Area density in the heat exchange of a porous medium in this way IAD=Total fiber lateral surface of fiber...

23 February 2021 6,043 1 View

How can I measure the thickness of thin layers deposited on textured glass susbtrates?

I want to measure the thickness of aluminum oxide and titanium oxide layers deposited on textured glass substates. The layer thicknesses are typically below 100nm.

21 February 2021 5,465 4 View

How can I measure the surface interaction or surface interfacial chemistry between polishing abrasives and upper surface of substrate ?

I am working on polishing abrasives. I need to do few characterizations ? which can provide the on time surface chemistry of substrate with polishing abrasive during optical polishing. I would...

18 February 2021 5,319 3 View

No title

The regenerated cellulose film was prepared by zinc chloride/H2O system. The zinc chloride had been washed away in the regeneration process, and the wet film which was not dried had uniform...

18 February 2021 9,538 1 View

Which is the best silane for making a borosilicate glass surface hydrophobic permanently? and what is the protocol?

Regarding my needs I am looking for a glass coating agent that makes the glass hydrophobic permanently

09 February 2021 3,924 5 View