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

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

Should antiandrogens and / or TMPRSS2 protease inhibitors be given in adult patients without prostate cancer and also in women? Only in men? Never ?

As we know, not long ago the WHO named Wuhann Pneumonia (SARS-COV 2): Covid-19 (from Coronavirus Disease 2019), which has become a serious pandemic and health emergency with multiple pathological...

21 September 2020 4,618 13 View

MD MOE RMSD

How to calculate the RMSD values for a MD simulation using MOE?

07 August 2021 0 0 View

MD MOE RMSD

How to calculate the RMSD values for a MD simulation using MOE?

07 August 2021 0 0 View

fatal error

When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.

16 June 2021 0 0 View

fatal error

When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.

16 June 2021 0 0 View

fatal error

When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.

16 June 2021 0 0 View

fatal error

When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.

16 June 2021 0 0 View

flexibility of polymers chain

effect of double bond on the flexibility of polymers

07 April 2021 0 0 View

Formulation of polymer color flakes

I am writing to request some information for making polymer color flakes. I would appreciate the help.

17 March 2021 0 0 View

Guidelines for survey (question type) analysis?

Hi. Please tell me what guidelines should i need to follow for questionaries' type research work in India. It is not hospital based work, we are conduction basic institutional based qualitative...

03 March 2021 2,037 3 View

How to access MSCI KLD Stats and Sustainalytics?

Hello all, I'm currently working on my undergraduate thesis and I'm having difficulties trying to access KLD Stats and Sustainalytics because my campus Airlangga University and apparently other...

02 March 2021 8,525 1 View