Zobrazeno 1 - 10
of 233
pro vyhledávání: '"Peter R Taylor"'
Autor:
Peter R. Taylor
′Motivating Your Team is an excellent handbook for all those who intend to get the best out to their team, to motivate, lead and support individuals as well as groups of people, and thus assist them in maximizing their performance as professionals
Autor:
Chengcheng Tang, Peter R. Taylor
Publikováno v:
ChemistrySelect. 8
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d2e93aa0bfaff497750fb7569bec9063
https://doi.org/10.1002/slct.202204843
https://doi.org/10.1002/slct.202204843
Publikováno v:
Physical chemistry chemical physics : PCCP. 24(32)
The molecular species C
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::655196f6fa7bd350dcd47249dfc82cd1
https://pubmed.ncbi.nlm.nih.gov/35730752
https://pubmed.ncbi.nlm.nih.gov/35730752
Methylketene (CH3CHCO) and acrolein (CH2CHCHO) have received considerable attention from both theoreticians and experimentalists. In a number of computational studies, it has been identified that both isomers sit alongside their dissociation products
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f7efa90081d1d4c67a664bdc93a5db86
Publikováno v:
Journal of chemical theory and computation. 16(7)
A new robust surface-walking algorithm for locating transition states is presented. By modifying the Trust-Region Image Surface Minimization method to walk to higher-order stationary points, where the Hessian has more than one negative eigenvalue, we
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::89703024fb0188c55ecd12c01ae21704
https://pubmed.ncbi.nlm.nih.gov/32510953
https://pubmed.ncbi.nlm.nih.gov/32510953
Autor:
Geoffrey M. Podger, Mac Coombe, Peter R. Taylor, Caroline Rosello, Amit Parashar, Jean-Michel Perraud, Ashmita Sengupta, Joel Rahman, Jackie O'Sullivan, Carmel Pollino
Publikováno v:
Environmental Modelling & Software. 141:105049
Water resources are under growing pressure globally. Sustainable water management requires an understanding of how much water is available, where it is stored and used, and how future developments may impact availability. Understanding this requires
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8433d008497f4008aea3b87567ede01a
https://doi.org/10.1016/j.envsoft.2021.105049
https://doi.org/10.1016/j.envsoft.2021.105049
Autor:
Peter R. Taylor
Publikováno v:
Taylor, P R 2017, ' Reflections on the MOLECULE integral program (and its developer) ', Molecular Physics, pp. 1-5 . https://doi.org/10.1080/00268976.2017.1290844
In this essay, I review some of the advances made by Jan Almlof in the calculation of molecular integrals over Gaussian-type basis functions, and in the use of molecular symmetry to both produce integrals over symmetry-adapted combinations of basis f
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0c941407c4dad7de91f60c1a20eced68
https://pure.au.dk/portal/da/publications/reflections-on-the-molecule-integral-program-and-its-developer(39a39d8a-0603-4287-aaeb-b8f3be5eb6d3).html
https://pure.au.dk/portal/da/publications/reflections-on-the-molecule-integral-program-and-its-developer(39a39d8a-0603-4287-aaeb-b8f3be5eb6d3).html
Autor:
Trygve Helgaker, Kasper Hald, Sonja Coriani, Andrea Ligabue, Christof Hättig, Stefan Knecht, Jógvan Magnus Haugaard Olsen, Keld L. Bak, Paweł Sałek, Heike Fliegl, Marcin Ziółkowski, Andreas J. Thorvaldsen, Alf C. Hennum, Kurt V. Mikkelsen, Stephan P. A. Sauer, Brannislav Jansik, Alfredo Sánchez de Merás, Johanna Kauczor, Luca Frediani, Sheela Kirpekar, Jacob Kongsted, Asger Halkier, Arnfinn Hykkerud Steindal, Jeppe Olsen, Zilvinas Rinkevicius, Maria Francesca Iozzi, Vladimir V. Rybkin, Thomas Bondo Pedersen, Vebjørn Bakken, David P. Tew, Stine Høst, Juan Ignacio Melo, Ola B. Lutnæs, Patrick Ettenhuber, Hans Ågren, Celestino Angeli, Eirik Hjertenæs, Patrick Norman, Wim Klopper, Filip Pawłowski, Christian Neiss, Ove Christiansen, Kenneth Ruud, Thomas Enevoldsen, Linus Boman, Christian B. Nielsen, David J. D. Wilson, Kristian O. Sylvester-Hvid, Mark A. Watson, Kestutis Aidas, Pål Dahle, Martin J. Packer, Erik I. Tellgren, Torgeir A. Ruden, Hinne Hettema, Henrik Koch, Lara Ferrighi, Trond Saue, Radovan Bast, Thomas Kjærgaard, Erik K. Dalskov, Andrew M. Teale, Kristian Sneskov, Lea Thøgersen, Renzo Cimiraglia, Olav Vahtras, Claire C. M. Samson, Dan Jonsson, Andreas Krapp, Rika Kobayashi, Hans-Jørgen Aa. Jensen, Bernd Schimmelpfennig, Janus J. Eriksen, Rolf H. Myhre, Ida-Marie Høyvik, Kasper Kristensen, Peter R. Taylor, Ulf Ekström, Patricio Federico Provasi, Poul Jørgensen, Simen Reine, Hanne Heiberg, Anders Osted, Berta Fernández
Publikováno v:
Wiley Interdisciplinary Reviews: Computational Molecular Science. 4:269-284
Dalton is a powerful general-purpose program system for the study of molecular electronic structure at the Hartree-Fock, Kohn-Sham, multiconfigurational self-consistent-field, MOller-Plesset, confi ...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ed0292d7905a323a530145bc1195ce73
https://doi.org/10.1002/wcms.1172
https://doi.org/10.1002/wcms.1172
Publikováno v:
Oxford Textbook of Vascular Surgery
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::30b74af198c13a49d3020c12ba4ff7a4
https://doi.org/10.1093/med/9780199658220.003.0055
https://doi.org/10.1093/med/9780199658220.003.0055
Publikováno v:
Oxford Textbook of Vascular Surgery
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b8b3b06102c44b5bcbea1e2d4486a81d
https://doi.org/10.1093/med/9780199658220.003.0058
https://doi.org/10.1093/med/9780199658220.003.0058