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David M Benoit

5PUBLICATIONS

33CO-AUTHORS

Computational chemistryTheoretical quantum chemistryStructural properties of condensed matter

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Publications (5)

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|May 03, 2020

The first microsolvation step for furans: New experiments and benchmarking strategies.

Hannes C Gottschalk, Anja Poblotzki, Mariyam Fatima

|Oct 03, 2019

Intramolecular stretching vibrational states and frequency shifts of (H<sub>2</sub>)<sub>2</sub> confined inside the large cage of clathrate hydrate from an eight-dimensional quantum treatment using small basis sets.

Peter M Felker, David Lauvergnat, Yohann Scribano

|Apr 22, 2019

H<sub>2</sub>, HD, and D<sub>2</sub> in the small cage of structure II clathrate hydrate: Vibrational frequency shifts from fully coupled quantum six-dimensional calculations of the vibration-translation-rotation eigenstates.

David Lauvergnat, Peter Felker, Yohann Scribano

|Apr 16, 2018

The effect of the condensed-phase environment on the vibrational frequency shift of a hydrogen molecule inside clathrate hydrates.

Anna Powers, Yohann Scribano, David Lauvergnat

|Jan 08, 2018

The furan microsolvation blind challenge for quantum chemical methods: First steps.

Hannes C Gottschalk, Anja Poblotzki, Martin A Suhm

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Frequent Collaborators

3 joint publications

David Lauvergnat

3 joint publications

Zlatko Bačić

2 joint publications

Hannes C Gottschalk

2 joint publications

Anja Poblotzki

2 joint publications

Martin A Suhm

2 joint publications

Leonardo Baptista

2 joint publications

Rahma Dahmani

2 joint publications

Stefan Grimme

2 joint publications

Michael E Harding

2 joint publications

Majdi Hochlaf

Frequent Collaborators

3 joint publications

David Lauvergnat

3 joint publications

Zlatko Bačić

2 joint publications

Hannes C Gottschalk

2 joint publications

Anja Poblotzki

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