A Regularized Second-Order Correlation Method from Green’s Function Theory

por Coveney, Christopher J. N., Tew, David P.
Publicado 2023

Role of Valence and Semicore Electron Correlation on Spin Gaps in Fe(II)-Porphyrins

por Li Manni, Giovanni, Kats, Daniel, Tew, David P., Alavi, Ali
Publicado 2019

Chemistry in Laser-Induced Plasmas: Formation of M–C≡C–Cl (M = Ag or Cu) and their Characterization by Rotational Spectroscopy

por Zaleski, Daniel P., Tew, David P., Walker, Nicholas R., Legon, Anthony C.
Publicado 2015

H(3)P···AgI: generation by laser-ablation and characterization by rotational spectroscopy and ab initio calculations

por Stephens, Susanna L., Tew, David P., Walker, Nicholas R., Legon, Anthony C.
Publicado 2016

Grid-based methods for chemistry simulations on a quantum computer

por Chan, Hans Hon Sang, Meister, Richard, Jones, Tyson, Tew, David P., Benjamin, Simon C.
Publicado 2023

Highly Unsaturated Platinum and Palladium Carbenes PtC(3) and PdC(3) Isolated and Characterized in the Gas Phase

por Bittner, Dror M., Zaleski, Daniel P., Tew, David P., Walker, Nicholas R., Legon, Anthony C.
Publicado 2016

Highly Unsaturated Platinum and Palladium Carbenes PtC(3) and PdC(3) Isolated and Characterized in the Gas Phase

por Bittner, Dror M., Zaleski, Daniel P., Tew, David P., Walker, Nicholas R., Legon, Anthony C.
Publicado 2016

Distortions of ethyne when complexed with a cuprous or argentous halide: the rotational spectrum of C(2)H(2)···CuF

por Zaleski, Daniel P., Stephens, Susanna L., Tew, David P., Bittner, Dror M., Walker, Nicholas R., Legon, Anthony C.
Publicado 2015

Witnessing eigenstates for quantum simulation of Hamiltonian spectra

por Santagati, Raffaele, Wang, Jianwei, Gentile, Antonio A., Paesani, Stefano, Wiebe, Nathan, McClean, Jarrod R., Morley-Short, Sam, Shadbolt, Peter J., Bonneau, Damien, Silverstone, Joshua W., Tew, David P., Zhou, Xiaoqi, O’Brien, Jeremy L., Thompson, Mark G.
Publicado 2018

Differential sensing with arrays of de novo designed peptide assemblies

por Dawson, William M., Shelley, Kathryn L., Fletcher, Jordan M., Scott, D. Arne, Lombardi, Lucia, Rhys, Guto G., LaGambina, Tania J., Obst, Ulrike, Burton, Antony J., Cross, Jessica A., Davies, George, Martin, Freddie J. O., Wiseman, Francis J., Brady, R. Leo, Tew, David, Wood, Christopher W., Woolfson, Derek N.
Publicado 2023

TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations

por Balasubramani, Sree Ganesh, Chen, Guo P., Coriani, Sonia, Diedenhofen, Michael, Frank, Marius S., Franzke, Yannick J., Furche, Filipp, Grotjahn, Robin, Harding, Michael E., Hättig, Christof, Hellweg, Arnim, Helmich-Paris, Benjamin, Holzer, Christof, Huniar, Uwe, Kaupp, Martin, Marefat Khah, Alireza, Karbalaei Khani, Sarah, Müller, Thomas, Mack, Fabian, Nguyen, Brian D., Parker, Shane M., Perlt, Eva, Rappoport, Dmitrij, Reiter, Kevin, Roy, Saswata, Rückert, Matthias, Schmitz, Gunnar, Sierka, Marek, Tapavicza, Enrico, Tew, David P., van Wüllen, Christoph, Voora, Vamsee K., Weigend, Florian, Wodyński, Artur, Yu, Jason M.
Publicado 2020

TURBOMOLE: Today and Tomorrow

por Franzke, Yannick J., Holzer, Christof, Andersen, Josefine H., Begušić, Tomislav, Bruder, Florian, Coriani, Sonia, Della Sala, Fabio, Fabiano, Eduardo, Fedotov, Daniil A., Fürst, Susanne, Gillhuber, Sebastian, Grotjahn, Robin, Kaupp, Martin, Kehry, Max, Krstić, Marjan, Mack, Fabian, Majumdar, Sourav, Nguyen, Brian D., Parker, Shane M., Pauly, Fabian, Pausch, Ansgar, Perlt, Eva, Phun, Gabriel S., Rajabi, Ahmadreza, Rappoport, Dmitrij, Samal, Bibek, Schrader, Tim, Sharma, Manas, Tapavicza, Enrico, Treß, Robert S., Voora, Vamsee, Wodyński, Artur, Yu, Jason M., Zerulla, Benedikt, Furche, Filipp, Hättig, Christof, Sierka, Marek, Tew, David P., Weigend, Florian
Publicado 2023

Improving the efficiency and effectiveness of an industrial SARS-CoV-2 diagnostic facility

por Douthwaite, Julie A., Brown, Christopher A., Ferdinand, John R., Sharma, Rahul, Elliott, Jane, Taylor, Molly A., Malintan, Nancy T., Duvoisin, Hannah, Hill, Thomas, Delpuech, Oona, Orton, Alexandra L., Pitt, Haidee, Kuenzi, Fred, Fish, Simon, Nicholls, David J., Cuthbert, Anna, Richards, Ian, Ratcliffe, Giles, Upadhyay, Abhishek, Marklew, Abigail, Hewitt, Craig, Ross-Thriepland, Douglas, Brankin, Christopher, Chodorge, Matthieu, Browne, Gareth, Mander, Palwinder K., DeWildt, Ruud M., Weaver, Shane, Smee, Penny A., van Kempen, Joost, Bartlett, Jon G., Allen, Paula M., Koppe, Emma L., Ashby, Charlotte A., Phipps, Julian D., Mehta, Nalini, Brierley, David J., Tew, David G., Leveridge, Melanie V., Baddeley, Stuart M., Goodfellow, Ian G., Green, Clive, Abell, Chris, Neely, Andy, Waddell, Ian, Rees, Steve, Maxwell, Patrick H., Pangalos, Menelas N., Howes, Rob, Clark, Roger
Publicado 2022

The Dalton quantum chemistry program system

por Aidas, Kestutis, Angeli, Celestino, Bak, Keld L, Bakken, Vebjørn, Bast, Radovan, Boman, Linus, Christiansen, Ove, Cimiraglia, Renzo, Coriani, Sonia, Dahle, Pål, Dalskov, Erik K, Ekström, Ulf, Enevoldsen, Thomas, Eriksen, Janus J, Ettenhuber, Patrick, Fernández, Berta, Ferrighi, Lara, Fliegl, Heike, Frediani, Luca, Hald, Kasper, Halkier, Asger, Hättig, Christof, Heiberg, Hanne, Helgaker, Trygve, Hennum, Alf Christian, Hettema, Hinne, Hjertenæs, Eirik, Høst, Stinne, Høyvik, Ida-Marie, Iozzi, Maria Francesca, Jansík, Branislav, Jensen, Hans Jørgen Aa, Jonsson, Dan, Jørgensen, Poul, Kauczor, Joanna, Kirpekar, Sheela, Kjærgaard, Thomas, Klopper, Wim, Knecht, Stefan, Kobayashi, Rika, Koch, Henrik, Kongsted, Jacob, Krapp, Andreas, Kristensen, Kasper, Ligabue, Andrea, Lutnæs, Ola B, Melo, Juan I, Mikkelsen, Kurt V, Myhre, Rolf H, Neiss, Christian, Nielsen, Christian B, Norman, Patrick, Olsen, Jeppe, Olsen, Jógvan Magnus H, Osted, Anders, Packer, Martin J, Pawlowski, Filip, Pedersen, Thomas B, Provasi, Patricio F, Reine, Simen, Rinkevicius, Zilvinas, Ruden, Torgeir A, Ruud, Kenneth, Rybkin, Vladimir V, Sałek, Pawel, Samson, Claire C M, de Merás, Alfredo Sánchez, Saue, Trond, Sauer, Stephan P A, Schimmelpfennig, Bernd, Sneskov, Kristian, Steindal, Arnfinn H, Sylvester-Hvid, Kristian O, Taylor, Peter R, Teale, Andrew M, Tellgren, Erik I, Tew, David P, Thorvaldsen, Andreas J, Thøgersen, Lea, Vahtras, Olav, Watson, Mark A, Wilson, David J D, Ziolkowski, Marcin, Ågren, Hans
Publicado 2014