11 November 2014 0 7K Report

Can anyone suggest me some jounals which related acoustical studies of some organic compounds with the spectroscopic vibrational studies.

More Venkatesan Ragavendran's questions See All
How to measure the cavity present in an organic molecule ?

Dear researcher, I wish to learn how to measure a cavity or cavity like arrangements present in an organic molecule. For proteins, many more online websites and softwares were available to...

07 August 2019 899 3 View

How to find dissociation energy for an organic molecule or dye doped metal ligand using Gaussian 09?

Dear Researchers, I have prepared an organic molecule combined with a dye. When it is experimentally exposed to sunlight (Visible or UV), what could be its stability or dissociation. I wish to...

04 May 2019 8,169 4 View

How to create gaussian input file for an organic molecule with metal ligand?

Dear Researchers, I am trying to find how a metal atom interacts with an organic ligand taken and to find its applications towards metal sensing. In this regard, can anyone tell me the different...

03 April 2019 2,263 3 View

Information required about Crystal and Materials studio softwares to study material properties?

May I request any of our research gate mates to tell me the details about the Crystal 09 and Materials studio softwares which are required to calculate material properties? Give me the detail...

05 June 2018 9,330 0 View

Gaussian error termination while doing PBS freq calculation, can anyone help to overcome this?

Dear all, I tried to run Gaussian calculation for Graphene layer from the test file and have successfully optimized it. While I try to calculate the frequencies and other orbital analysis...

04 May 2018 10,131 1 View

PBC calculations are meant for solid state calculations instead of gas phase of any molecules or only crystalline materials?

Dear all, I have a basic clarification regarding PBC calculations. Generally when we perform Gaussian calculations it will be in gas phase. My question is that PBC calculations meant for crystal...

04 May 2018 8,150 1 View

What is the method to obtain bond lengths and bond angles from powder xrd data?

Dear all, I am working with powder samples which are synthesized and some were purchased directly. In this regard, I use Gaussian 09 software to find optimized parameters like bond lengths and...

07 August 2016 3,366 10 View

How to overcome this problem in sharing number of processors of a cpu?

Dear all, I am using a serial version of Gaussian 09 in my institution. In this regard, I want to share multiple processors for my optimization, when I am trying to do so while submitting the job...

06 July 2016 6,574 1 View

How to complete dual dihedral PES scan simultaneously with having redundant coordinates?

Hi all, I have done previously PES scan by simultaneously rotating two dihedrals and have got the gaussian scan grid. Now, I wish to know that using opt=modredundant I have tried to run scan again...

06 July 2016 7,977 4 View

How can I overcome negative frequencies that occur during Gaussian calculations?

How can I overcome negative frequencies that occur during Gaussian calculations?.

07 August 2015 3,947 4 View

Similar questions and discussions
Problems about acousto-optic coupling in Comsol, how to check whether the moving mesh is correct?

I’m trying to reproduce the acousto-optic coupling simulation in the paper Frequency–angular resolving LiDAR using chip-scale acousto-optic beam steering. LNOI(lithium niobate on insulator) is...

13 August 2024 9,795 0 View

• What the possible Persistent Organic Pollutants and Heavy metals present in fluorspar, sediments, and water bodies around its mining area?

Approximate concentrations are require in compared with the WHO permissible limts

11 August 2024 2,723 1 View

Basis set and input instruction to calculate HOMO and LUMO using Orca for Imidazolium based organic salts?

Hey there, As a synthetic chemist delving into theoretical calculations for my imidazolium-based organic molecules, I would greatly appreciate any guidance on the appropriate input instructions...

09 August 2024 5,444 7 View

Separation of organic acids-HPLC?

Hello What should be done to separate and identify organic acids in HPC when their RetTime is the same?Like oxalic acid with Propanoic Acid.or acids that have a very close RetTime.

07 August 2024 8,782 3 View

Hello Everyone ! I'm looking for a good journal to publish my manuscript with low publication cost?

I am Looking for a Science Journal with good impact factor and low publication cost to publish a review paper. Your suggestions would be appreciated.

06 August 2024 6,796 3 View

Why might the impedance values for DI water and 0.1X PBS buffer solution exhibit a decreasing and increasing trend, respectively over time (HP 4194A)?

Hello everyone, I'm encountering an issue with my electrochemical impedance spectroscopy (EIS) measurements and would appreciate some insights. Experimental Setup: Electrodes: Gold interdigitated...

05 August 2024 3,783 2 View

Are authors sowing for scientific Journals to be reaping the benefits? We are charged for publication but we offer free peer review services, why?

As authors and academic writers, we usually prepare our manuscript using our own resources. We submit these manuscripts to scientific Journals for peer review and publication sometimes at a fee....

03 August 2024 7,304 2 View

How to convert g/kg Humic acid dose to kg/ha?

I used humic acid at 0.044 g/kg soil in my pot experiment. But finally, I have to recommend kg/ha. Each pot's soil weight was 11 kg. What is the solution?

02 August 2024 7,186 6 View

Mossbauer spectroscopy Co0.6Mn0.4Fe2O4 MNPs?

Following curve related to Co0.6Mn0.4Fe2O4 Magnetic nanoparticles with extra phase a-Fe2O3. I will appreciate to help me to interpretation this spectroscopy, especially the blue line.

31 July 2024 9,140 2 View

How to improve peaks separation in HPLC?

Hi everyone, I'd like to better separate two close peaks coming from a bioconversion sample, I'm currently using a C18 KromaPhase 4,6mm Ø.I. SCHARLAU, particle size (µm): 10, pore size (Å): 100,...

30 July 2024 435 3 View

Our partners will collect data and use cookies for ad personalization and measurement. Learn how we and our ad partner Google, collect and use data. Agree & close