04 October 2017 1 2K Report

Can you help me please to know the efficiency achieved recent by the zinc porphyrins solar cell using  Computational and Theoretical Chemistry?

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Why in TDDFT, some of the output for the first state has a negative wavelength and oscillator strength ?

I'm doing TDDFT calculation. I have calculated excited state calculation for n=20 states. The first state (lowest in energy) showing negative wavelength and oscillator strength. How we can explain...

11 August 2020 6,788 4 View

Is there data related to in-vehicule ethernet network packets?

I'm working on machine learning applied to ethernet in-vehicle networks, the problem is that most of the simulators and datasets generated are related to CAN networks. If anyone knows a simulator...

25 November 2019 8,768 1 View

How i can build the TiO2 cluster for attach it with zinc porphyrins dyes using Gaussian?

In order to calculate the dye efficiency and other important parameters for zinc porphyrins dye sensitized solar cell i want to build a TiO2 using Gauss view or Avogadro then use it to attach...

22 January 2018 2,112 3 View

What is the most proper solvent for zinc porphyrins dye?

I want to do calculation use gaussview for zinc porphyrins dye in the excited state ,but i can't decided the best solvent for it. So can anyone help me to find the answer for my question please .

08 October 2017 7,279 4 View

What are the suitable parameters of ball mill machine which are used in producing nano particles (mainly sand and clay)?

ball mill machine used in grinding particles to finer size. the parameters of this machine are ball size, milling time, speed and others. I am interesing in grinding sample of clay into nano size...

19 April 2017 227 3 View

Should a reexamination of published meta-analyses follow the retraction of included primary studies?

One example is where a meta-analysis includes key fraudulent/plagiarized primary studies.

02 June 2014 611 5 View

What is the best way to model reinforcement inside concrete with ABAQUS software?

I applied the reinforcement as an impeded material but when I did run for the model the deflection was too high. So how can I be sure that the steel yielded or not ?

04 March 2014 7,778 9 View

Conference on Information Technology (ICIT 2021)

About The 10th International Conference on Information Technology (ICIT 2021) will be held on 14-15 July 2021 in Amman, Jordan. This conference is organized by the AL-Zaytoonah University of...

01 January 1970 2,745 2 View

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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.

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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.

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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.

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I am interested in medicinal chemistry field, which books are highly recommended to learn from?

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How Relativistic effects is one reason for lanthanide contraction?

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