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Items: 13

1.

Chimera: enabling hierarchy based multi-objective optimization for self-driving laboratories.

Häse F, Roch LM, Aspuru-Guzik A.

Chem Sci. 2018 Aug 28;9(39):7642-7655. doi: 10.1039/c8sc02239a. eCollection 2018 Oct 21.

2.

Phoenics: A Bayesian Optimizer for Chemistry.

Häse F, Roch LM, Kreisbeck C, Aspuru-Guzik A.

ACS Cent Sci. 2018 Sep 26;4(9):1134-1145. doi: 10.1021/acscentsci.8b00307. Epub 2018 Aug 24.

3.

Melatonin-directed micellization: a case for tryptophan metabolites and their classical bioisosteres as templates for the self-assembly of bipyridinium-based supramolecular amphiphiles in water.

Wang Z, Cui H, Sun Z, Roch LM, Goldner AN, Nour HF, Sue AC, Baldridge KK, Olson MA.

Soft Matter. 2018 Apr 18;14(15):2893-2905. doi: 10.1039/c8sm00136g.

PMID:
29589034
4.

1,2,3- versus 1,2-Indeno Ring Fusions Influence Structure Property and Chirality of Corannulene Bowls.

Liu S, Roch LM, Allemann O, Xu J, Vanthuyne N, Baldridge KK, Siegel JS.

J Org Chem. 2018 Apr 6;83(7):3979-3986. doi: 10.1021/acs.joc.8b00320. Epub 2018 Mar 26.

PMID:
29577722
5.
6.

General optimization procedure towards the design of a new family of minimal parameter spin-component-scaled double-hybrid density functional theory.

Roch LM, Baldridge KK.

Phys Chem Chem Phys. 2017 Oct 4;19(38):26191-26200. doi: 10.1039/c7cp04125j.

PMID:
28930316
7.

Dispersion-Corrected Spin-Component-Scaled Double-Hybrid Density Functional Theory: Implementation and Performance for Non-covalent Interactions.

Roch LM, Baldridge KK.

J Chem Theory Comput. 2017 Jun 13;13(6):2650-2666. doi: 10.1021/acs.jctc.7b00220. Epub 2017 May 24.

PMID:
28537392
8.

[3+3] Cyclocondensation of Disubstituted Biphenyl Dialdehydes: Access to Inherently Luminescent and Optically Active Hexa-substituted C3-Symmetric and Asymmetric Trianglimine Macrocycles.

Wang Z, Nour HF, Roch LM, Guo M, Li W, Baldridge KK, Sue AC, Olson MA.

J Org Chem. 2017 Mar 3;82(5):2472-2480. doi: 10.1021/acs.joc.6b02868. Epub 2017 Feb 9.

PMID:
28121150
9.

Toward Accurate Adsorption Energetics on Clay Surfaces.

Zen A, Roch LM, Cox SJ, Hu XL, Sorella S, Alfè D, Michaelides A.

J Phys Chem C Nanomater Interfaces. 2016 Nov 23;120(46):26402-26413. Epub 2016 Oct 31.

10.

Pentaindenocorannulene: Properties, Assemblies, and C60 Complex.

Lampart S, Roch LM, Dutta AK, Wang Y, Warshamanage R, Finke AD, Linden A, Baldridge KK, Siegel JS.

Angew Chem Int Ed Engl. 2016 Nov 14;55(47):14648-14652. doi: 10.1002/anie.201608337. Epub 2016 Oct 6.

PMID:
27709796
11.

Epibulbar osteomas.

Roch LM, Milauskas AT.

Arch Ophthalmol. 1968 May;79(5):578-9. No abstract available.

PMID:
4171461
12.

Visual changes associated with clomiphene citrate therapy.

Roch LM 2nd, Gordon DL, Barr AB, Paulsen CA.

Arch Ophthalmol. 1967 Jan;77(1):14-7. No abstract available.

PMID:
6015711
13.

Studies on the development of the eye in the 13-15 trisomy syndrome.

Roch LM 2nd, Petrucci JV, Barber AN.

Am J Ophthalmol. 1965 Dec;60(6):1067-74. No abstract available.

PMID:
5857011

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