Xantheas SS - Search Results

1

Parallel Implementation of the Density Matrix Renormalization Group Method Achieving a Quarter petaFLOPS Performance on a Single DGX-H100 GPU Node.

Menczer A, van Damme M, Rask A, Huntington L, Hammond J, Xantheas SS, Ganahl M, Legeza Ö. Menczer A, et al. Among authors: xantheas ss. J Chem Theory Comput. 2024 Oct 8;20(19):8397-8404. doi: 10.1021/acs.jctc.4c00903. Epub 2024 Sep 19. J Chem Theory Comput. 2024. PMID: 39297788 Free PMC article.

2

Infrared detection of (H2O)20 isomers of exceptional stability: a drop-like and a face-sharing pentagonal prism cluster.

Pradzynski CC, Dierking CW, Zurheide F, Forck RM, Buck U, Zeuch T, Xantheas SS. Pradzynski CC, et al. Among authors: xantheas ss. Phys Chem Chem Phys. 2014 Dec 28;16(48):26691-6. doi: 10.1039/c4cp03642e. Phys Chem Chem Phys. 2014. PMID: 25231162

3

Cluster-controlled photofragmentation: the case of the Xe-pyrrole cluster.

Lipciuc ML, Wang F, Yang X, Kitsopoulos TN, Fanourgakis GS, Xantheas SS. Lipciuc ML, et al. Among authors: xantheas ss. Chemphyschem. 2008 Sep 15;9(13):1838-41. doi: 10.1002/cphc.200800288. Chemphyschem. 2008. PMID: 18677783 No abstract available.

4

Controlling internal degrees: general discussion.

Ahmed M, Asmis K, Avdonin I, Beyer MK, Bieske E, Bougueroua S, Chou CW, Daly S, Dopfer O, Ellis-Gibbings L, Gabelica V, Gaigeot MP, Gatchell M, Gerber B, Johnson C, Johnson M, Jordan K, Krylov A, Mayer M, McCaslin L, McCoy AB, Neumark D, Ončák M, Oomens J, Rijs A, Rizzo T, Roithová J, Sarre P, Schlemmer S, Simons J, Stockett M, Trevitt A, Verlet J, Wang XB, Wester R, Willitsch S, Xantheas S. Ahmed M, et al. Faraday Discuss. 2019 Jul 18;217(0):138-171. doi: 10.1039/c9fd90032b. Faraday Discuss. 2019. PMID: 31276148 No abstract available.

5

Encapsulation of Ar(n) complexes by calix[4]arene: endo- vs. exo-complexes.

Ebata T, Hontama N, Inokuchi Y, Haino T, Aprà E, Xantheas SS. Ebata T, et al. Among authors: xantheas ss. Phys Chem Chem Phys. 2010 May 14;12(18):4569-79. doi: 10.1039/b927441c. Epub 2010 Mar 22. Phys Chem Chem Phys. 2010. PMID: 20428536 Free article.

6

The role of hydrophobic surfaces in altering water-mediated peptide-peptide interactions in an aqueous environment.

Yoo S, Xantheas SS. Yoo S, et al. Among authors: xantheas ss. J Phys Chem A. 2011 Jun 16;115(23):6088-92. doi: 10.1021/jp1107137. Epub 2011 Jan 19. J Phys Chem A. 2011. PMID: 21247205

7

Microhydration effects on the intermediates of the S(N)2 reaction of iodide anion with methyl iodide.

Doi K, Togano E, Xantheas SS, Nakanishi R, Nagata T, Ebata T, Inokuchi Y. Doi K, et al. Among authors: xantheas ss. Angew Chem Int Ed Engl. 2013 Apr 15;52(16):4380-3. doi: 10.1002/anie.201207697. Epub 2013 Jan 30. Angew Chem Int Ed Engl. 2013. PMID: 23361998 No abstract available.

8

Computational investigation of the first solvation shell structure of interfacial and bulk aqueous chloride and iodide ions.

Wick CD, Xantheas SS. Wick CD, et al. Among authors: xantheas ss. J Phys Chem B. 2009 Apr 2;113(13):4141-6. doi: 10.1021/jp806782r. J Phys Chem B. 2009. PMID: 19014185

9

Modular Polymer Biosensors by Solvent Immersion Imprint Lithography.

Moore JS, Xantheas SS, Grate JW, Wietsma TW, Gratton E, Vasdekis AE. Moore JS, et al. Among authors: xantheas ss. J Polym Sci B Polym Phys. 2016 Jan 1;54(1):98-103. doi: 10.1002/polb.23961. Epub 2015 Nov 9. J Polym Sci B Polym Phys. 2016. PMID: 27867256 Free PMC article.

10

Spying on the neighbors' pool.

Xantheas SS. Xantheas SS. Science. 2016 Dec 2;354(6316):1101. doi: 10.1126/science.aal1413. Science. 2016. PMID: 27934720 No abstract available.

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