Daniel S. Lambrecht
Affiliations: | Chemistry | University of Pittsburgh, Pittsburgh, PA, United States |
Area:
theoretical and computational chemistryWebsite:
http://www.chem.pitt.edu/people/daniel-s-lambrechtGoogle:
"Daniel S. Lambrecht"Bio:
http://www.chem.pitt.edu/news/department-chemistry-pleased-announce-addition-daniel-s-lambrecht-faculty-fall-semester
http://tobias-lib.uni-tuebingen.de/volltexte/2008/3347/pdf/doktorarbeit.pdf
Mean distance: 8.68 | S | N | B | C | P |
Parents
Sign in to add mentor| Christian Ochsenfeld | grad student | 2008 | Universität Tübingen | |
| (Entwicklung rigoroser und effizienter Integralschranken und -stategien zur linear-skalierenden quantenchemischen Berechnung großer Moleküle) | ||||
| Martin Head-Gordon | post-doc | 2012 | UC Berkeley | |
Children
Sign in to add trainee| Eric J. Berquist | grad student | 2012-2018 | University of Pittsburgh |
| Michael Hartmann | grad student | 2012-2018 | University of Pittsburgh |
Collaborators
Sign in to add collaborator| Sean Garrett-Roe | collaborator | 2013- | University of Pittsburgh |
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Publications
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| Epifanovsky E, Gilbert ATB, Feng X, et al. (2021) Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package. The Journal of Chemical Physics. 155: 084801 |
| Mitra S, Werling K, Berquist EJ, et al. (2021) CH Mode Mixing Determines the Band Shape of the Carboxylate Symmetric Stretch in Apo-EDTA, Ca-EDTA, and Mg-EDTA. The Journal of Physical Chemistry. A |
| Lambrecht DS. (2019) Generalizing energy decomposition analysis to response properties to inform expedited predictive models Computational and Theoretical Chemistry. 1149: 24-30 |
| Brinzer T, Berquist EJ, Ren Z, et al. (2017) Erratum: "Ultrafast vibrational spectroscopy (2D-IR) of CO2 in ionic liquids: Carbon capture from carbon dioxide's point of view" [J. Chem. Phys. 142, 212425 (2015)]. The Journal of Chemical Physics. 147: 049901 |
| Berquist EJ, Daly CA, Brinzer T, et al. (2016) Modeling Carbon Dioxide Vibrational Frequencies in Ionic Liquids: I. Ab Initio Calculations. The Journal of Physical Chemistry. B |
| Daly CA, Berquist EJ, Brinzer T, et al. (2016) Modeling Carbon Dioxide Vibrational Frequencies in Ionic Liquids: II. Spectroscopic Map. The Journal of Physical Chemistry. B. 120: 12633-12642 |
| Ewing CS, Bagusetty A, Patriarca EG, et al. (2016) Impact of Support Interactions for Single-Atom Molybdenum Catalysts on Amorphous Silica Industrial & Engineering Chemistry Research. 55: 12350-12357 |
| Brinzer T, Berquist EJ, Ren Z, et al. (2015) Ultrafast vibrational spectroscopy (2D-IR) of CO2 in ionic liquids: Carbon capture from carbon dioxide's point of view. The Journal of Chemical Physics. 142: 212425 |
| Hartmann MJ, Häkkinen H, Millstone JE, et al. (2015) Impacts of copper position on the electronic structure of [Au |
| Tranca DC, Zimmerman PM, Gomes J, et al. (2015) Hexane Cracking on ZSM-5 and Faujasite Zeolites: A QM/MM/QCT Study Journal of Physical Chemistry C. 119: 28836-28853 |