Which is the best computational method to predict mechanism of a reaction?

Most of the time in order to check the feasibility of reaction we always seeks help from computational methods. Is it possible to check theoretical probability of a reaction through computational...

10 November 2019 2,015 1 View

How can I get free access to research journals ?

Now most of the journals are not free to access research papers. Most of us now working in small college or university, where there is no free access for international journals. In order to make...

10 November 2018 1,809 13 View

What are the main Free Plagiarism checker for research purposes?

Now a days plagiarism will be the most important concern to research students who writing their thesis, manuscript and proposal. How to check the plagiarism in an effective and efficient way by...

09 October 2018 2,321 5 View

How to stabilize cis-oxyresveratrol ?

Normally oxyresveratrol found in trans form. But we can convert trans form to cis form by photochemical transformation. However the stability of cis form is too less. It can easily converted to...

08 September 2018 553 0 View

What is meant by green extraction protocol for natural product(phytochemicals)?

There are so many techniques are available for the extraction of natural product (Phytochemicals) like 1. Classical solvent extraction procedures 2. Ultrasound-assisted extraction 3....

08 September 2018 4,040 28 View

How to make dry N,N-Dimethylformamide (DMF) ?

Normally DMF is seems to be the best solvent for my reactions. But the main problem with solvent is its dryness. Commercially available DMF is not economic. So I have to make dry DMF in my lab.

08 September 2018 5,590 0 View

Multicomponent reaction using isothiocyanate are well-known, how to synthesis this isothiocyanate?

There are lots of reports on multicomponent reaction involving isothiocyanate. But the generality is limited due to the availability of isothiocyanate. How to prepare isothiocyanate in an easy and...

08 September 2018 4,385 0 View

How to achieve para CH activation in aromatic systems?

Ortho and meta C-H activation reactions are well known compared to sp3 and para C-H activation reactions. What are the suitable directing group to achieve this goal? What are best solvents for C-H...

08 September 2018 299 0 View

Extraction of water soluble compounds from water?

How to separate water soluble molecule from water ? There are some methods by adding water absorbing material. How it is possible to extract in a bench top experiment? Please give procedure for...

07 August 2018 6,414 2 View

What is the real application of EXSY nmr experiment?

What is the advantages over other 2D nmr techniques? How to use this for predicting the mechanism and stereo chemistry? Is there is any review article available for study this?

06 July 2018 9,194 1 View

error in running a model in Abaqus

Excessive rotation of nodes in node set ErrNodeExcessRotation-Step1

17 August 2021 0 0 View

error in modelling model in Abaqus

Excessive rotation of nodes in node set ErrNodeExcessRotation-Step1

17 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

MD MOE RMSD

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

07 August 2021 0 0 View

MGL tools

20 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

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

How climate change will influences human and animal behavioral change?

The role of climate change influencing the human behavior as well as economics interest

01 June 2021 0 0 View