Daniel S. Lambrecht - Publications

Affiliations: 
Chemistry University of Pittsburgh, Pittsburgh, PA, United States 
Area:
theoretical and computational chemistry
Website:
http://www.chem.pitt.edu/people/daniel-s-lambrecht

36 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2017 Brinzer T, Berquist EJ, Ren Z, Dutta S, Johnson CA, Krisher CS, Lambrecht DS, Garrett-Roe S. 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. PMID 28764336 DOI: 10.1063/1.4995447  1
2016 Berquist EJ, Daly CA, Brinzer T, Bullard KK, Campbell ZM, Corcelli SA, Garrett-Roe S, Lambrecht DS. Modeling Carbon Dioxide Vibrational Frequencies in Ionic Liquids: I. Ab Initio Calculations. The Journal of Physical Chemistry. B. PMID 28036175 DOI: 10.1021/acs.jpcb.6b09489  1
2016 Daly CA, Berquist EJ, Brinzer T, Garrett-Roe S, Lambrecht DS, Corcelli SA. Modeling Carbon Dioxide Vibrational Frequencies in Ionic Liquids: II. Spectroscopic Map. The Journal of Physical Chemistry. B. 120: 12633-12642. PMID 27973844 DOI: 10.1021/acs.jpcb.6b09509  1
2015 Brinzer T, Berquist EJ, Ren Z, Dutta S, Johnson CA, Krisher CS, Lambrecht DS, Garrett-Roe S. 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. PMID 26049445 DOI: 10.1063/1.4917467  1
2015 Hartmann MJ, Häkkinen H, Millstone JE, Lambrecht DS. Impacts of copper position on the electronic structure of [Au25-xCux(SH)18]- nanoclusters Journal of Physical Chemistry C. 119: 8290-8298. DOI: 10.1021/jp5125475  1
2015 Ewing CS, Hartmann MJ, Martin KR, Musto AM, Padinjarekutt SJ, Weiss EM, Veser G, McCarthy JJ, Johnson JK, Lambrecht DS. Structural and electronic properties of Pt13 nanoclusters on amorphous silica supports Journal of Physical Chemistry C. 119: 2503-2512. DOI: 10.1021/jp5105104  1
2015 Tranca DC, Zimmerman PM, Gomes J, Lambrecht D, Keil FJ, Head-Gordon M, Bell AT. Hexane Cracking on ZSM-5 and Faujasite Zeolites: A QM/MM/QCT Study Journal of Physical Chemistry C. 119: 28836-28853. DOI: 10.1021/acs.jpcc.5b07457  1
2015 Ewing CS, Veser G, McCarthy JJ, Johnson JK, Lambrecht DS. Effect of Support Preparation and Nanoparticle Size on Catalyst-Support Interactions between Pt and Amorphous Silica Journal of Physical Chemistry C. 119: 19934-19940. DOI: 10.1021/acs.jpcc.5b05763  1
2015 Ewing CS, Veser G, McCarthy JJ, Lambrecht DS, Johnson JK. Predicting catalyst-support interactions between metal nanoparticles and amorphous silica supports Surface Science. DOI: 10.1016/j.susc.2016.03.004  1
2014 Werling KA, Griffin M, Hutchison GR, Lambrecht DS. Piezoelectric hydrogen bonding: computational screening for a design rationale. The Journal of Physical Chemistry. A. 118: 7404-10. PMID 24576213 DOI: 10.1021/jp412740j  1
2014 Ewing C, Hartmann M, Musto A, Padinjarekutt S, Weiss E, Martin K, McCarthy J, Veser G, Lambrecht D, Johnson K. Catalyst/support interactions between PT nanoparticles and amorphous Silica: Impact on CO oxidation 31st Annual International Pittsburgh Coal Conference: Coal - Energy, Environment and Sustainable Development, Pcc 2014 1
2013 Mardirossian N, Lambrecht DS, McCaslin L, Xantheas SS, Head-Gordon M. The Performance of Density Functionals for Sulfate-Water Clusters. Journal of Chemical Theory and Computation. 9: 1368-80. PMID 26587599 DOI: 10.1021/ct4000235  0.96
2013 Werling KA, Hutchison GR, Lambrecht DS. Piezoelectric Effects of Applied Electric Fields on Hydrogen-Bond Interactions: First-Principles Electronic Structure Investigation of Weak Electrostatic Interactions. The Journal of Physical Chemistry Letters. 4: 1365-70. PMID 26282286 DOI: 10.1021/jz400355v  1
2013 Maurer SA, Beer M, Lambrecht DS, Ochsenfeld C. Linear-scaling symmetry-adapted perturbation theory with scaled dispersion. The Journal of Chemical Physics. 139: 184104. PMID 24320251 DOI: 10.1063/1.4827297  1
2013 Maurer SA, Lambrecht DS, Kussmann J, Ochsenfeld C. Efficient distance-including integral screening in linear-scaling Møller-Plesset perturbation theory. The Journal of Chemical Physics. 138: 014101. PMID 23298022 DOI: 10.1063/1.4770502  1
2013 Werling KA, Hutchison GR, Lambrecht DS. Piezoelectric effects of applied electric fields on hydrogen-bond interactions: First-principles electronic structure investigation of weak electrostatic interactions Journal of Physical Chemistry Letters. 4: 1365-1370. DOI: 10.1021/jz400355v  1
2013 Mardirossian N, Lambrecht DS, McCaslin L, Xantheas SS, Head-Gordon M. The performance of density functionals for sulfate-water clusters Journal of Chemical Theory and Computation. 9: 1368-1380. DOI: 10.1021/ct4000235  1
2012 Zimmerman PM, Tranca DC, Gomes J, Lambrecht DS, Head-Gordon M, Bell AT. Ab initio simulations reveal that reaction dynamics strongly affect product selectivity for the cracking of alkanes over H-MFI. Journal of the American Chemical Society. 134: 19468-76. PMID 23072346 DOI: 10.1021/ja3089372  1
2012 Lambrecht DS, Doser B, Ochsenfeld C. Erratum: "Rigorous integral screening for electron correlation methods" [J. Chem. Phys. 123, 184102 (2005)]. The Journal of Chemical Physics. 136: 149902. PMID 22502551 DOI: 10.1063/1.3693968  1
2012 Lambrecht DS, Ochsenfeld C. Erratum: "Multipole-based integral estimates for the rigorous description of distance dependence in two-electron integrals" [J. Chem. Phys. 123, 184101 (2005)]. The Journal of Chemical Physics. 136: 149901. PMID 22502550 DOI: 10.1063/1.3693966  1
2012 Maurer SA, Lambrecht DS, Flaig D, Ochsenfeld C. Distance-dependent Schwarz-based integral estimates for two-electron integrals: reliable tightness vs. rigorous upper bounds. The Journal of Chemical Physics. 136: 144107. PMID 22502501 DOI: 10.1063/1.3693908  1
2012 Lambrecht DS, McCaslin L, Xantheas SS, Epifanovsky E, Head-Gordon M. Refined energetic ordering for sulphate-water (n =3-6) clusters using high-level electronic structure calculations Molecular Physics. 110: 2513-2521. DOI: 10.1080/00268976.2012.708442  1
2011 Ramos-Cordoba E, Lambrecht DS, Head-Gordon M. Charge-transfer and the hydrogen bond: spectroscopic and structural implications from electronic structure calculations. Faraday Discussions. 150: 345-62; discussion 3. PMID 22457956 DOI: 10.1039/c1fd00004g  1
2011 Lambrecht DS, Clark GN, Head-Gordon T, Head-Gordon M. Exploring the rich energy landscape of sulfate-water clusters SO4(2-) (H2O)(n=3-7): an electronic structure approach. The Journal of Physical Chemistry. A. 115: 11438-54. PMID 21888323 DOI: 10.1021/jp206064n  1
2011 Lambrecht DS, Clark GN, Head-Gordon T, Head-Gordon M. Simulated photoelectron spectra of the cyanide-water anion via quasiclassical molecular dynamics. The Journal of Physical Chemistry. A. 115: 5928-35. PMID 21405045 DOI: 10.1021/jp110334w  1
2011 Lambrecht DS, Brandhorst K, Miller WH, McCurdy CW, Head-Gordon M. A kinetic energy fitting metric for resolution of the identity second-order Møller-Plesset perturbation theory. The Journal of Physical Chemistry. A. 115: 2794-801. PMID 21391690 DOI: 10.1021/jp108218w  1
2010 Ponder JW, Wu C, Ren P, Pande VS, Chodera JD, Schnieders MJ, Haque I, Mobley DL, Lambrecht DS, DiStasio RA, Head-Gordon M, Clark GN, Johnson ME, Head-Gordon T. Current status of the AMOEBA polarizable force field. The Journal of Physical Chemistry. B. 114: 2549-64. PMID 20136072 DOI: 10.1021/jp910674d  1
2010 Doser B, Zienau J, Clin L, Lambrecht DS, Ochsenfeld C. A linear-scaling MP2 method for large molecules by rigorous integral-screening criteria Zeitschrift Fur Physikalische Chemie. 224: 397-412. DOI: 10.1524/zpch.2010.6113  1
2010 Bell F, Lambrecht DS, Head-Gordon M. Higher order singular value decomposition in quantum chemistry Molecular Physics. 108: 2759-2773. DOI: 10.1080/00268976.2010.523713  1
2009 Doser B, Lambrecht DS, Kussmann J, Ochsenfeld C. Linear-scaling atomic orbital-based second-order Møller-Plesset perturbation theory by rigorous integral screening criteria. The Journal of Chemical Physics. 130: 064107. PMID 19222267 DOI: 10.1063/1.3072903  1
2008 Doser B, Lambrecht DS, Ochsenfeld C. Tighter multipole-based integral estimates and parallel implementation of linear-scaling AO-MP2 theory. Physical Chemistry Chemical Physics : Pccp. 10: 3335-44. PMID 18535715 DOI: 10.1039/b804110e  1
2008 Lambrecht DS, Fleig T, Sommerfeld T. Instability of the Al4(2-) "all-metal aromatic" ion and its implications. The Journal of Physical Chemistry. A. 112: 2855-62. PMID 18318513 DOI: 10.1021/jp077377c  1
2008 Lambrecht DS, Fleig T, Sommerfeld T. Reply to "comment on 'instability of the Al4 2 'all-metal aromatic' ion and its implications" Journal of Physical Chemistry A. 112: 7986. DOI: 10.1021/jp803587v  1
2007 Ochsenfeld C, Kussmann J, Lambrecht DS. Linear-scaling methods in quantum chemistry Reviews in Computational Chemistry. 23: 1-82.  1
2005 Lambrecht DS, Doser B, Ochsenfeld C. Rigorous integral screening for electron correlation methods. The Journal of Chemical Physics. 123: 184102. PMID 16292894 DOI: 10.1063/1.2079987  1
2005 Lambrecht DS, Ochsenfeld C. Multipole-based integral estimates for the rigorous description of distance dependence in two-electron integrals. The Journal of Chemical Physics. 123: 184101. PMID 16292893 DOI: 10.1063/1.2079967  1
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