Wilhelm J - Search Results

1

Toward GW Calculations on Thousands of Atoms.

Wilhelm J, Golze D, Talirz L, Hutter J, Pignedoli CA. Wilhelm J, et al. J Phys Chem Lett. 2018 Jan 18;9(2):306-312. doi: 10.1021/acs.jpclett.7b02740. Epub 2018 Jan 5. J Phys Chem Lett. 2018. PMID: 29280376

2

GW in the Gaussian and Plane Waves Scheme with Application to Linear Acenes.

Wilhelm J, Del Ben M, Hutter J. Wilhelm J, et al. J Chem Theory Comput. 2016 Aug 9;12(8):3623-35. doi: 10.1021/acs.jctc.6b00380. Epub 2016 Jul 13. J Chem Theory Comput. 2016. PMID: 27348184 Free article.

3

Large-Scale Cubic-Scaling Random Phase Approximation Correlation Energy Calculations Using a Gaussian Basis.

Wilhelm J, Seewald P, Del Ben M, Hutter J. Wilhelm J, et al. J Chem Theory Comput. 2016 Dec 13;12(12):5851-5859. doi: 10.1021/acs.jctc.6b00840. Epub 2016 Nov 4. J Chem Theory Comput. 2016. PMID: 27779863

4

Fast evaluation of solid harmonic Gaussian integrals for local resolution-of-the-identity methods and range-separated hybrid functionals.

Golze D, Benedikter N, Iannuzzi M, Wilhelm J, Hutter J. Golze D, et al. Among authors: wilhelm j. J Chem Phys. 2017 Jan 21;146(3):034105. doi: 10.1063/1.4973510. J Chem Phys. 2017. PMID: 28109230 Free article.

5

On-Surface Synthesis of Indenofluorene Polymers by Oxidative Five-Membered Ring Formation.

Di Giovannantonio M, Urgel JI, Beser U, Yakutovich AV, Wilhelm J, Pignedoli CA, Ruffieux P, Narita A, Müllen K, Fasel R. Di Giovannantonio M, et al. Among authors: wilhelm j. J Am Chem Soc. 2018 Mar 14;140(10):3532-3536. doi: 10.1021/jacs.8b00587. Epub 2018 Feb 28. J Am Chem Soc. 2018. PMID: 29474072

6

Core-Level Binding Energies from GW: An Efficient Full-Frequency Approach within a Localized Basis.

Golze D, Wilhelm J, van Setten MJ, Rinke P. Golze D, et al. Among authors: wilhelm j. J Chem Theory Comput. 2018 Sep 11;14(9):4856-4869. doi: 10.1021/acs.jctc.8b00458. Epub 2018 Aug 27. J Chem Theory Comput. 2018. PMID: 30092140

7

Graphene Nanoribbons Derived from Zigzag Edge-Encased Poly( para-2,9-dibenzo[ bc, kl]coronenylene) Polymer Chains.

Beyer D, Wang S, Pignedoli CA, Melidonie J, Yuan B, Li C, Wilhelm J, Ruffieux P, Berger R, Müllen K, Fasel R, Feng X. Beyer D, et al. Among authors: wilhelm j. J Am Chem Soc. 2019 Feb 20;141(7):2843-2846. doi: 10.1021/jacs.8b10407. Epub 2019 Feb 11. J Am Chem Soc. 2019. PMID: 30731042

8

On-surface light-induced generation of higher acenes and elucidation of their open-shell character.

Urgel JI, Mishra S, Hayashi H, Wilhelm J, Pignedoli CA, Di Giovannantonio M, Widmer R, Yamashita M, Hieda N, Ruffieux P, Yamada H, Fasel R. Urgel JI, et al. Among authors: wilhelm j. Nat Commun. 2019 Feb 20;10(1):861. doi: 10.1038/s41467-019-08650-y. Nat Commun. 2019. PMID: 30787280 Free PMC article.

9

Correction to "Graphene Nanoribbons Derived from Zigzag Edge-Encased Poly( para-2,9-dibenzo[ bc, kl]coronenylene) Polymer Chains".

Beyer D, Wang S, Pignedoli CA, Melidonie J, Yuan B, Li C, Wilhelm J, Ruffieux P, Berger R, Müllen K, Fasel R, Feng X. Beyer D, et al. Among authors: wilhelm j. J Am Chem Soc. 2019 Mar 13;141(10):4488. doi: 10.1021/jacs.9b01965. Epub 2019 Feb 26. J Am Chem Soc. 2019. PMID: 30807119 No abstract available.

10

Quantifying the hydration structure of sodium and potassium ions: taking additional steps on Jacob's Ladder.

Duignan TT , Schenter GK , Fulton JL , Huthwelker T , Balasubramanian M , Galib M , Baer MD , Wilhelm J , Hutter J , Del Ben M , Zhao XS , Mundy CJ . Duignan TT , et al. Among authors: wilhelm j. Phys Chem Chem Phys. 2020 May 21;22(19):10641-10652. doi: 10.1039/c9cp06161d. Epub 2020 Jan 2. Phys Chem Chem Phys. 2020. PMID: 31894785 Free article.

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