Q&A_QEC: electronic states representation

Q: Why electronic excited states for diatomic molecules in #quantemolEC are represented differently than conventionally expected? For example, N2 molecule’s […]

Q&A_QEC: Pseudo and real resonances

Q: How to distinguishes between a real resonance and pseudo resonance in QuantemolEC results? A: The resonance parameters are produced […]

Q&A_QVT: Parallelisation

Q: How to utilize parallelisation in QVT( HPEM)? A: Paralleliastion option is available in all versions of QVT and it […]

Q&A_QEC: Vertical Excitation Energy Cutoff

Q: What is the difference between the vertical excitation energy cutoff, start energy and end energy in close coupling (CC) […]

Q&A_QEC: Rotational Cross section Data

Q: How rotational cross section data is calculated in QEC and where can I find the results? A: QEC plots […]

Q&A_QEC: Momentum Transfer and differential cross sections

Q: Can QEC calculate the momentum transfer, differential and integrated differential cross-section? Does it only provide scattering cross-section data on […]

New Series of Posts: Q&A

Quantemol team has been rather busy recently with active preparation of software releases for QVT (available) and QEC (coming soon) […]

When Virtual Offices Come Together

It’s been a while since we met up with the Quantemol team in real life and I want to share […]

Quantemol Virtual Laboratory: A smart way to work from home

We are living in unprecedented times. Remote working has become vitally important and the impetus is growing to save the […]

COVID-19 CEO statement

Like many other companies, Quantemol is adapting to the changing environment, influenced by the spread of Covid-19. The health and […]

Our July Update

Quantemol releases the first version of Quantemol-EC software. Get QEC FREE trial, sign up here! Quantemol successfully co-hosted a R-MADAM workshop in London […]

NEW publication and QDB feature COMING soon.

Our team is working on making work with chemistry data easier than it has always been! Modelling plasma systems in […]

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