Daniel Lambrecht
Daniel Lambrecht
Florida Gulf Coast University & University of Pittsburgh
Verified email at fgcu.edu - Homepage
Cited by
Cited by
Advances in molecular quantum chemistry contained in the Q-Chem 4 program package
Y Shao, Z Gan, E Epifanovsky, ATB Gilbert, M Wormit, J Kussmann, ...
Molecular Physics 113 (2), 184-215, 2015
Current status of the AMOEBA polarizable force field
JW Ponder, C Wu, P Ren, VS Pande, JD Chodera, MJ Schnieders, ...
The journal of physical chemistry B 114 (8), 2549-2564, 2010
Reviews in Computational Chemistry
RJ Bartlett, JF Stanton
Inc. New York, 65, 1994
Linear-scaling atomic orbital-based second-order Møller–Plesset perturbation theory by rigorous integral screening criteria
B Doser, DS Lambrecht, J Kussmann, C Ochsenfeld
The Journal of chemical physics 130 (6), 064107, 2009
Rigorous integral screening for electron correlation methods
DS Lambrecht, B Doser, C Ochsenfeld
The Journal of chemical physics 123 (18), 184102, 2005
Linear-scaling methods in quantum chemistry
C Ochsenfeld, J Kussmann, DS Lambrecht
Reviews in computational chemistry 23, 1, 2007
Multipole-based integral estimates for the rigorous description of distance dependence in two-electron integrals
DS Lambrecht, C Ochsenfeld
The Journal of chemical physics 123 (18), 184101, 2005
Tighter multipole-based integral estimates and parallel implementation of linear-scaling AO–MP2 theory
B Doser, DS Lambrecht, C Ochsenfeld
Physical Chemistry Chemical Physics 10 (23), 3335-3344, 2008
Distance-dependent Schwarz-based integral estimates for two-electron integrals: Reliable tightness vs. rigorous upper bounds
SA Maurer, DS Lambrecht, D Flaig, C Ochsenfeld
The Journal of chemical physics 136 (14), 144107, 2012
The performance of density functionals for sulfate–water clusters
N Mardirossian, DS Lambrecht, L McCaslin, SS Xantheas, ...
Journal of chemical theory and computation 9 (3), 1368-1380, 2013
Efficient distance-including integral screening in linear-scaling Møller-Plesset perturbation theory
SA Maurer, DS Lambrecht, J Kussmann, C Ochsenfeld
The Journal of chemical physics 138 (1), 01B601, 2013
Ligand–Substrate Dispersion Facilitates the Copper-Catalyzed Hydroamination of Unactivated Olefins
G Lu, RY Liu, Y Yang, C Fang, DS Lambrecht, SL Buchwald, P Liu
Journal of the American Chemical Society 139 (46), 16548-16555, 2017
Charge-transfer and the hydrogen bond: Spectroscopic and structural implications from electronic structure calculations
E Ramos-Cordoba, DS Lambrecht, M Head-Gordon
Faraday discussions 150, 345-362, 2011
Ab initio simulations reveal that reaction dynamics strongly affect product selectivity for the cracking of alkanes over H-MFI
PM Zimmerman, DC Tranca, J Gomes, DS Lambrecht, M Head-Gordon, ...
Journal of the American Chemical Society 134 (47), 19468-19476, 2012
Local and density fitting approximations within the short-range/long-range hybrid scheme: application to large non-bonded complexes
E Goll, T Leininger, FR Manby, A Mitrushchenkov, HJ Werner, H Stoll
Physical Chemistry Chemical Physics 10 (23), 3353-3357, 2008
Ultrafast vibrational spectroscopy (2D-IR) of CO2 in ionic liquids: Carbon capture from carbon dioxide’s point of view
T Brinzer, EJ Berquist, Z Ren, S Dutta, CA Johnson, CS Krisher, ...
The Journal of chemical physics 142 (21), 212425, 2015
A linear-scaling MP2 method for large molecules by rigorous integral-screening criteria
B Doser, J Zienau, L Clin, DS Lambrecht, C Ochsenfeld
Zeitschrift für Physikalische Chemie 224 (3-4), 397-412, 2010
Piezoelectric effects of applied electric fields on hydrogen-bond interactions: first-principles electronic structure investigation of weak electrostatic interactions
KA Werling, GR Hutchison, DS Lambrecht
The journal of physical chemistry letters 4 (9), 1365-1370, 2013
Exploring the Rich Energy Landscape of Sulfate–Water Clusters SO42– (H2O)n=3–7: An Electronic Structure Approach
DS Lambrecht, GNI Clark, T Head-Gordon, M Head-Gordon
The Journal of Physical Chemistry A 115 (41), 11438-11454, 2011
Effect of support preparation and nanoparticle size on catalyst–support interactions between Pt and amorphous silica
CS Ewing, G Veser, JJ McCarthy, JK Johnson, DS Lambrecht
The Journal of Physical Chemistry C 119 (34), 19934-19940, 2015
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