How to calculate vibrational hyperpolarizabilities under Gaussian

how to calculate vibrational hyperpolarizabilities under Gaussian

11 December 2016 6,253 0 View

Cyclic phosphazene (PNH2)3?

03 April 2016 2,709 2 View

Do anyone here can help us in the field of molecular docking?

We have synthesized various metal complexes with different environment around the metals. Now to see the application of synthesized complexes we need this study also. we are also interested in...

01 March 2021 1,899 2 View

Can polymer concentrations be calculated based on the number average molecular weight?

Hello, I spin-cast two different polymers onto wafers and measure their height as a function of initial concentration. For polymer A, I have the weight-average molecular weight (Mw) as well as...

28 February 2021 7,882 2 View

How to Eliminate cosine error and abbe error in LASER measurement system(for example Rhenishaw XL80)?

I like to do project in laser measurement system. My objective is to eliminate or reduce the cosine error, abbe error in Laser measurement system. I have Rhenishaw XL80 system. Please tell the...

28 February 2021 4,890 3 View

How can we limit artifacts caused by rotation in fiber photometry?

We are trying to run fiber photometry experiments for long time scales, but we get these sinusoidal artifacts that come up. We think they may be caused by twisting of the fiber optic subject...

25 February 2021 568 1 View

Is there any one who can provide a donation of HPV detection and genotyping kits in exchange collaboration fors?

Warm greetings My name is Ayichew S. and I am doing my Ph.D. in Medical Microbiology (on Human papillomavirus). At this stage, I have almost completed a clinical sample Cervical swabs)...

25 February 2021 1,660 3 View

How to measure angle between laser travel path and machine axis in Laser Measurement system?

25 February 2021 1,987 3 View

Can we recognize signs of the "volatility clustering" property of a time series in its time domain plot?

My purpose is to recognize the volatility clustering property without statistical tests such as The Lagrange Multiplier (LM) test.

24 February 2021 4,150 3 View

How to resolve Gaussian error termination " Error termination via Lnk1e in F:\G16W\l103.exe" for TS(QST3)?

When I run the job for TS(QST3) in gaseous phase, it was completed without any error. But when I add water in CPCM model it terminated with an error: Inconsistency: ModMin= 2 Eigenvalue=...

21 February 2021 3,198 2 View

How can I simulate the optical absorption spectrum of a biomaterial (like DNA or protein) in COMSOL?

I need to simulate the optical properties of a biomaterial, namely DNA, in COMSOL. Basically I need to simulate the IR absorption spectrum of a cylinder filled with a 'concentration' of DNA. I am...

21 February 2021 3,043 3 View

How to overcome convergence issues in concrete arch models?

Hi, I have modelled a three-span arch bridge with soil fill over along with pedestals. The FE modelling is done in LUSAS with HX8M solid elements (i.e. 3D solid modelling). The non-linearity is...

20 February 2021 1,346 2 View