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David P Tew

8PUBLICATIONS
44CO-AUTHORS
Radiation and matterThermodynamics and statistical physicsFormal methods for softwareTheoretical quantum chemistryComputational chemistry
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Journal

Publications (8)

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|Dec 02, 2020
The rotational spectrum of H<sub>2</sub>S⋯HI and an investigation by ab initio calculations of the origins of the observed doubling of rotational transitions in both H<sub>2</sub>S⋯HI and H<sub>2</sub>S⋯F<sub>2</sub>.

Andrew P Suckley, David P Tew, Anthony C Legon

|Nov 10, 2020
Basis set extrapolation in pair natural orbital theories.

Kesha Sorathia, David P Tew

|May 17, 2020
TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations.

Sree Ganesh Balasubramani, Guo P Chen, Sonia Coriani

|May 10, 2020
Ab initio calculation of rovibrational states for non-degenerate double-well potentials: cis-trans isomerization of HOPO.

Sebastian Erfort, Martin Tschöpe, Guntram Rauhut

|Dec 23, 2019
Efficient and accurate description of adsorption in zeolites.

Jiří Klimeš, David P Tew

|Oct 22, 2018
Do CCSD and approximate CCSD-F12 variants converge to the same basis set limits? The case of atomization energies.

Manoj K Kesharwani, Nitai Sylvetsky, Andreas Köhn

Pageof 2

Frequent Collaborators

2 joint publications

Anthony C Legon

1 joint publications

Chris Medcraft

1 joint publications

Eva Gougoula

1 joint publications

Dror M Bittner

1 joint publications

Nicholas R Walker

1 joint publications

Andreas Köhn

1 joint publications

Jan M L Martin

1 joint publications

Jiří Klimeš

1 joint publications

Sebastian Erfort

1 joint publications

Martin Tschöpe

Frequent Collaborators

2 joint publications

Anthony C Legon

1 joint publications

Chris Medcraft

1 joint publications

Eva Gougoula

1 joint publications

Dror M Bittner

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