How or where can I get the crystallographic information file (CIF) for PCN-222 MOF?

I need the simulated XRD pattern of PCN-222 to compare with experimental data. Thanks.

19 February 2021 4,932 3 View

How can I obtain the expansion orbital coeffiecients in Hartree Fock program?

23 December 2020 6,756 3 View

4D rotations and rotors.. can a general expression be derived?

I recently asked in math stackexchange a question regarding 3D rotations in geometric algebra https://math.stackexchange.com/questions/3922021/angle-and-plane-of-rotation-in-3d-geometric-algebra....

07 December 2020 5,630 26 View

How to compute pressure drop on liquid ammonia line?

I have to analyze an existing ammonia line to estimate the pressure drop in it. The line is designed to transport liquid ammonia. I can compute the pressure drop with standard friction factor...

21 November 2020 5,494 3 View

Does anyone know of a qualitative research article that addresses the role of the CEO and/or Top Management Teams in ambidextrous strategies?

I am interested only in papers with a qualitative approach to explore the link between personality of top management team human resource management (including the CEO) and open innovation. Thanks...

19 November 2020 1,785 7 View

In R software, how to restrict geographical area only to the coastline / intertidal zone?

Hello all! I'm trying to conduct an SDM analysis in R regarding a species which only occurs in the intertidal area. I need to be able to restrict my geographical range to a range of points in...

13 November 2020 351 9 View

It is said that Faith and Science are frontally confronted, a good Scientist cannot be a Believer or practice any Religion or Religious Belief?

The relationships between Science, Beliefs and Faith have always generated a heated debate (which has reached popular opinion) leading to think that they are irreconcilable concepts and that a...

26 October 2020 2,389 99 View

SDM and intertidal species?

Hello all. I have a technical question regarding species distribution models on intertidal species. The main issue here is the fact although the species in question are associated with intertidal...

12 October 2020 2,108 2 View

What are the reliable tools for soil pH and NPK testing?

I have found some tools which would be inserted to the soil, but I'm not sure about its accuracy. Can anybody suggest inexpensive, easy-to-use, accurate soil testing tools/kits?

30 September 2020 1,580 3 View

Hot to convert s-1 to cm3 molecule-1 s-1 in kinetics?

Hi all, I have a conversion problem with rate constant calculations. My start point is the isoprene molecule with a chlorine atom bond to C1. I want to obtain the rate constant of: isoprene +...

27 September 2020 3,192 3 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

After a reference from Int J Body Compos Res, can any body help?

Hi, I am after the reference below, my library says it cannot obtain a copy either locally or internationally, any help appreciated! Chris Wang ZM, Heshka S, Wielopolski L, Pi-Sunyer FX, Pierson...

03 March 2021 6,193 1 View

Irradiation data for JAPAN?

Hi, Could you help me to get the latest (2019, 2020) solar resource data for a particular site in JAPAN? PV GIS and NSRDB data are not in reach to JAPAN, I'm looking for some other database for...

03 March 2021 961 3 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

Can we distinguish the type of free fluid inside the pelvic and abdominal cavities whether blood or serous fluid using the ultrasound?

during ultrasound examination of acute abdomen, sometimes we see free fluid , can we know the type of fluid ,whether blood or not , using ultrasound only? if yes , what are the sonographic...

01 March 2021 7,476 4 View

How to calculate Ligand-active site distance in a ligand-protein complex from MD simulation?

I have run a MD simulation of a ligand-protein complex in GROMACS using CHARMM forcefield. Reviewer has asked me to calculate Ligand-activesite distance and binding free energy of ligand with...

27 February 2021 4,703 1 View

Why do the air flow results vary totally when adding scalar in CFD ?

Dear All, We are using Autodesk cfd to calculate the air flow in a single sided naturally ventilated room, where air flow depends only on buoyancy due to temperature difference between inside and...

25 February 2021 9,602 4 View

Is there an open source free software for text mining and sentiment analysis?

I am looking for a free software for text mining and sentiment analysis for my research on customer review mining (it involves calculating polarity of attributes,opinion oriented information...

25 February 2021 1,920 6 View

Which are the journals for free paper publication?

A bunch of flower for everybody. I would like to ask about the list of journals which we can publish our paper for free. Thanks in advance. Sincerely Walid

25 February 2021 9,790 3 View

How to model Supercritical water gasification (SCWG) process in Homer software?

Hi everyone How to model Supercritical water gasification (SCWG) process in Homer software?

25 February 2021 4,075 1 View