Format
Sort by
Items per page

Send to

Choose Destination

Search results

Items: 15

1.

Combining Pseudopotential and All Electron Density Functional Theory for the Efficient Calculation of Core Spectra Using a Multiresolution Approach.

Ratcliff LE, Thornton WS, Mayagoitia ÁV, Romero NA.

J Phys Chem A. 2019 May 23;123(20):4465-4474. doi: 10.1021/acs.jpca.8b11310. Epub 2019 May 14.

PMID:
31063395
2.

Structure-Property of Lithium-Sulfur Nanoparticles via Molecular Dynamics Simulation.

Li Y, Romero NA, Lau KC.

ACS Appl Mater Interfaces. 2018 Oct 31;10(43):37575-37585. doi: 10.1021/acsami.8b09128. Epub 2018 Oct 19.

PMID:
30298723
3.

QMCPACK: an open source ab initio quantum Monte Carlo package for the electronic structure of atoms, molecules and solids.

Kim J, Baczewski AT, Beaudet TD, Benali A, Bennett MC, Berrill MA, Blunt NS, Borda EJL, Casula M, Ceperley DM, Chiesa S, Clark BK, Clay RC, Delaney KT, Dewing M, Esler KP, Hao H, Heinonen O, Kent PRC, Krogel JT, Kylänpää I, Li YW, Lopez MG, Luo Y, Malone FD, Martin RM, Mathuriya A, McMinis J, Melton CA, Mitas L, Morales MA, Neuscamman E, Parker WD, Pineda Flores SD, Romero NA, Rubenstein BM, Shea JAR, Shin H, Shulenburger L, Tillack AF, Townsend JP, Tubman NM, Van Der Goetz B, Vincent JE, Yang DC, Yang Y, Zhang S, Zhao L.

J Phys Condens Matter. 2018 May 16;30(19):195901. doi: 10.1088/1361-648X/aab9c3. Epub 2018 Mar 27.

PMID:
29582782
4.

Organic Photoredox Catalysis.

Romero NA, Nicewicz DA.

Chem Rev. 2016 Sep 14;116(17):10075-166. doi: 10.1021/acs.chemrev.6b00057. Epub 2016 Jun 10.

PMID:
27285582
5.

Site-selective arene C-H amination via photoredox catalysis.

Romero NA, Margrey KA, Tay NE, Nicewicz DA.

Science. 2015 Sep 18;349(6254):1326-30. doi: 10.1126/science.aac9895.

6.

Mechanistic insight into the photoredox catalysis of anti-markovnikov alkene hydrofunctionalization reactions.

Romero NA, Nicewicz DA.

J Am Chem Soc. 2014 Dec 10;136(49):17024-35. doi: 10.1021/ja506228u. Epub 2014 Nov 24.

7.

Application of Diffusion Monte Carlo to Materials Dominated by van der Waals Interactions.

Benali A, Shulenburger L, Romero NA, Kim J, von Lilienfeld OA.

J Chem Theory Comput. 2014 Aug 12;10(8):3417-22. doi: 10.1021/ct5003225.

PMID:
26588310
8.

Investigation of Catalytic Finite-Size-Effects of Platinum Metal Clusters.

Li L, Larsen AH, Romero NA, Morozov VA, Glinsvad C, Abild-Pedersen F, Greeley J, Jacobsen KW, Nørskov JK.

J Phys Chem Lett. 2013 Jan 3;4(1):222-6. doi: 10.1021/jz3018286. Epub 2012 Dec 26.

PMID:
26291235
9.

Recent performance improvements to the DFT and TDDFT in GAMESS.

Lasinski ME, Romero NA, Brown ST, Blaudeau JP.

J Comput Chem. 2012 Mar 15;33(7):723-31. doi: 10.1002/jcc.22890. Epub 2012 Jan 13.

PMID:
22241553
10.

Au(III)-catalyzed tandem amination-hydration of alkynes: synthesis of α-(N-2-pyridonyl)ketones.

Romero NA, Klepser BM, Anderson CE.

Org Lett. 2012 Feb 3;14(3):874-7. doi: 10.1021/ol203398e. Epub 2012 Jan 11.

PMID:
22235809
11.

Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method.

Enkovaara J, Rostgaard C, Mortensen JJ, Chen J, Dułak M, Ferrighi L, Gavnholt J, Glinsvad C, Haikola V, Hansen HA, Kristoffersen HH, Kuisma M, Larsen AH, Lehtovaara L, Ljungberg M, Lopez-Acevedo O, Moses PG, Ojanen J, Olsen T, Petzold V, Romero NA, Stausholm-Møller J, Strange M, Tritsaris GA, Vanin M, Walter M, Hammer B, Häkkinen H, Madsen GK, Nieminen RM, Nørskov JK, Puska M, Rantala TT, Schiøtz J, Thygesen KS, Jacobsen KW.

J Phys Condens Matter. 2010 Jun 30;22(25):253202. doi: 10.1088/0953-8984/22/25/253202. Epub 2010 Jun 10.

PMID:
21393795
12.

Tandem capillary column gas chromatography-mass spectrometric determination of the organophosphonate nerve agent surrogate dimethyl methylphosphonate in gaseous phase.

McDaniel LN, Romero NA, Boyd J, Coimbatore G, Cobb GP.

Talanta. 2010 Jun 15;81(4-5):1568-71. doi: 10.1016/j.talanta.2010.03.003. Epub 2010 Mar 24.

PMID:
20441940
13.

Multigenerational effects in deer mice (Peromyscus maniculatus) exposed to hexahydro-1,3,5-trinitroso-1,3,5-triazine (TNX).

Smith JN, Espino MA, Liu J, Romero NA, Cox SB, Cobb GP.

Chemosphere. 2009 May;75(7):910-4. doi: 10.1016/j.chemosphere.2009.01.010. Epub 2009 Feb 23.

PMID:
19230956
14.

Predicting C-H/pi interactions with nonlocal density functional theory.

Hooper J, Cooper VR, Thonhauser T, Romero NA, Zerilli F, Langreth DC.

Chemphyschem. 2008 Apr 21;9(6):891-5. doi: 10.1002/cphc.200700715. Erratum in: Chemphyschem. 2008 Jun 23;9(9):1216.

PMID:
18383059
15.

[Treatment of children with giardiasis with a liquid preparation of tinidazole].

Levi GC, Amato Neto V, Stefani HN, Romero NA, Lorenti Neto N.

Rev Inst Med Trop Sao Paulo. 1979 Jan-Feb;21(1):26-8. Portuguese. No abstract available.

PMID:
472608

Supplemental Content

Loading ...
Support Center