David P Tew (D P Tew)

ResearcherID ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2016-2024
Publications (10 Years): 22

Top Topics

Structure Activity Relationship

Molecular Dynamics

Energy Transfer

Top Venues

Journal of chemical theory and computation

The Journal of chemical physics

The journal of physical chemistry. A

Angewandte Chemie (International ed. in English)

This page only lists publications with an associated author ORCID identifier.

Publications

Andrew Zhu, David P Tew
Wannier Function Localization Using Bloch Intrinsic Atomic Orbitals. The journal of physical chemistry. A (2024)
Kesha Sorathia, Damyan Frantzov, David P Tew
Improved CPS and CBS Extrapolation of PNO-CCSD(T) Energies: The MOBH35 and ISOL24 Data Sets. Journal of chemical theory and computation 20 (7) (2024)
Kesha Sorathia, Damyan Frantzov, David P Tew
Improved CPS and CBS Extrapolation of PNO-CCSD(T) Energies: The MOBH35 and ISOL24 Data Sets. Journal of chemical theory and computation 20 (7) (2024)
Kesha Sorathia, Damyan Frantzov, David P Tew
Improved CPS and CBS Extrapolation of PNO-CCSD(T) Energies: The MOBH35 and ISOL24 Data Sets. Journal of chemical theory and computation 20 (7) (2024)
Kesha Sorathia, Damyan Frantzov, David P Tew
Improved CPS and CBS Extrapolation of PNO-CCSD(T) Energies: The MOBH35 and ISOL24 Data Sets. Journal of chemical theory and computation (2024)
Kesha Sorathia, Damyan Frantzov, David P Tew
Improved CPS and CBS Extrapolation of PNO-CCSD(T) Energies: The MOBH35 and ISOL24 Data Sets. Journal of chemical theory and computation 20 (7) (2024)
Christopher J N Coveney, David P Tew
A Regularized Second-Order Correlation Method from Green's Function Theory. Journal of chemical theory and computation (2023)
Yannick J Franzke, Christof Holzer, Josefine H Andersen, Tomislav Begušić, Florian Bruder, Sonia Coriani, Fabio Della Sala, Eduardo Fabiano, Daniil A Fedotov, Susanne Fürst, Sebastian Gillhuber, Robin Grotjahn, Martin Kaupp, Max Kehry, Marjan Krstić, Fabian Mack, Sourav Majumdar, Brian D Nguyen, Shane M Parker, Fabian Pauly, Ansgar Pausch, Eva Perlt, Gabriel S Phun, Ahmadreza Rajabi, Dmitrij Rappoport, Bibek Samal, Tim Schrader, Manas Sharma, Enrico Tapavicza, Robert S Treß, Vamsee K Voora, Artur Wodyński, Jason M Yu, Benedikt Zerulla, Filipp Furche, Christof Hättig, Marek Sierka, David P Tew, Florian Weigend
TURBOMOLE: Today and Tomorrow. Journal of chemical theory and computation (2023)
Robin J Shannon, B Hornung, David P Tew, David R Glowacki
Anharmonic Molecular Mechanics: Ab Initio Based Morse Parametrizations for the Popular MM3 Force Field. The journal of physical chemistry. A 123 (13) (2019)
Jiri Klimes, David P Tew
Efficient and accurate description of adsorption in zeolites. The Journal of chemical physics 151 (23) (2019)
David P Tew, Christof Hättig, Nora K Graf
Anharmonic excited state frequencies of para-difluorobenzene, toluene and catechol using analytic RI-CC2 second derivatives. Physical chemistry chemical physics : PCCP 21 (26) (2019)
David P Tew
Communication: Quasi-robust local density fitting. The Journal of chemical physics 148 (1) (2018)
Chris Medcraft, Eva Gougoula, Dror M Bittner, John C Mullaney, Susana Blanco, David P Tew, Nicholas R Walker, Anthony C Legon
Molecular geometries and other properties of H2O⋯AgI and H3N⋯AgI as characterised by rotational spectroscopy and ab initio calculations. The Journal of chemical physics 147 (23) (2018)
Raffaele Santagati, Jianwei Wang, Antonio A Gentile, Stefano Paesani, Nathan Wiebe, Jarrod R McClean, Sam Morley-Short, Peter J Shadbolt, Damien Bonneau, Joshua W Silverstone, David P Tew, Xiaoqi Zhou, Jeremy L O'Brien, Mark G Thompson
Witnessing eigenstates for quantum simulation of Hamiltonian spectra. Science advances 4 (1) (2018)
Manoj K Kesharwani, Nitai Sylvetsky, Andreas Köhn, David P Tew, Jan M L Martin
Do CCSD and approximate CCSD-F12 variants converge to the same basis set limits? The case of atomization energies. The Journal of chemical physics 149 (15) (2018)
David P Tew, Daniel Kats
Relaxing Constrained Amplitudes: Improved F12 Treatments of Orbital Optimization and Core-Valence Correlation Energies. Journal of chemical theory and computation 14 (11) (2018)
Daniel Kats, David P Tew
Orbital-Optimized Distinguishable Cluster Theory with Explicit Correlation. Journal of chemical theory and computation 15 (1) (2018)
Lewis M Hall, David P Tew, Natalie E Pridmore, Adrian C Whitwood, Jason M Lynam, John M Slattery
A Structurally Characterized Fluoroalkyne. Angewandte Chemie (International ed. in English) 56 (26) (2017)
Dror M Bittner, Daniel P Zaleski, David P Tew, Nicholas R Walker, Anthony C Legon
Highly Unsaturated Platinum and Palladium Carbenes PtC3 and PdC3 Isolated and Characterized in the Gas Phase. Angewandte Chemie (International ed. in English) 55 (11) (2016)
Dror M Bittner, Daniel P Zaleski, David P Tew, Nicholas R Walker, Anthony C Legon
Highly Unsaturated Platinum and Palladium Carbenes PtC3 and PdC3 Isolated and Characterized in the Gas Phase. Angewandte Chemie (Weinheim an der Bergstrasse, Germany) 128 (11) (2016)
David P Tew, Wataru Mizukami
Ab Initio Vibrational Spectroscopy of cis- and trans-Formic Acid from a Global Potential Energy Surface. The journal of physical chemistry. A 120 (49) (2016)
John C Mullaney, Daniel P Zaleski, David P Tew, Nicholas R Walker, Anthony C Legon
Geometry of an Isolated Dimer of Imidazole Characterised by Rotational Spectroscopy and Ab Initio Calculations. Chemphyschem : a European journal of chemical physics and physical chemistry 17 (8) (2016)