Rothlisberger U - Search Results

1

Unusual Ar-H/Rh-H J(HH) NMR coupling in complexes of rhodium(III): experimental evidence and theoretical support for an eta1-arene structure.

Krumper JR, Gerisch M, Magistrato A, Rothlisberger U, Bergman RG, Tilley TD. Krumper JR, et al. Among authors: rothlisberger u. J Am Chem Soc. 2004 Oct 6;126(39):12492-502. doi: 10.1021/ja047665b. J Am Chem Soc. 2004. PMID: 15453783

2

Three- and four-center trans effects in triply bonded ditungsten complexes: an ab initio molecular dynamics study of compounds with stoichiometry W2Cl4(NHEt)2(PMe3)2.

Magistrato A, Vondele JV, Rothlisberger U. Magistrato A, et al. Among authors: rothlisberger u. Inorg Chem. 2000 Nov 27;39(24):5553-60. doi: 10.1021/ic000754e. Inorg Chem. 2000. PMID: 11154571

3

Cis-trans isomerization in triply-bonded ditungsten complexes: a multitude of possible pathways.

VandeVondele J, Magistrato A, Rothlisberger U. VandeVondele J, et al. Among authors: rothlisberger u. Inorg Chem. 2001 Nov 5;40(23):5780-6. doi: 10.1021/ic010470+. Inorg Chem. 2001. PMID: 11681885

4

Role of protein frame and solvent for the redox properties of azurin from Pseudomonas aeruginosa.

Cascella M, Magistrato A, Tavernelli I, Carloni P, Rothlisberger U. Cascella M, et al. Among authors: rothlisberger u. Proc Natl Acad Sci U S A. 2006 Dec 26;103(52):19641-6. doi: 10.1073/pnas.0607890103. Epub 2006 Dec 18. Proc Natl Acad Sci U S A. 2006. PMID: 17179046 Free PMC article.

5

Parameterization of azole-bridged dinuclear platinum anticancer drugs via a QM/MM force matching procedure.

Spiegel K, Magistrato A, Maurer P, Ruggerone P, Rothlisberger U, Carloni P, Reedijk J, Klein ML. Spiegel K, et al. Among authors: rothlisberger u. J Comput Chem. 2008 Jan 15;29(1):38-49. doi: 10.1002/jcc.20739. J Comput Chem. 2008. PMID: 17705162

6

Who Activates the Nucleophile in Ribozyme Catalysis? An Answer from the Splicing Mechanism of Group II Introns.

Casalino L, Palermo G, Rothlisberger U, Magistrato A. Casalino L, et al. Among authors: rothlisberger u. J Am Chem Soc. 2016 Aug 24;138(33):10374-7. doi: 10.1021/jacs.6b01363. Epub 2016 Jun 23. J Am Chem Soc. 2016. PMID: 27309711

7

Development of Site-Specific Mg(2+)-RNA Force Field Parameters: A Dream or Reality? Guidelines from Combined Molecular Dynamics and Quantum Mechanics Simulations.

Casalino L, Palermo G, Abdurakhmonova N, Rothlisberger U, Magistrato A. Casalino L, et al. Among authors: rothlisberger u. J Chem Theory Comput. 2017 Jan 10;13(1):340-352. doi: 10.1021/acs.jctc.6b00905. Epub 2016 Dec 21. J Chem Theory Comput. 2017. PMID: 28001405

8

All-atom simulations disentangle the functional dynamics underlying gene maturation in the intron lariat spliceosome.

Casalino L, Palermo G, Spinello A, Rothlisberger U, Magistrato A. Casalino L, et al. Among authors: rothlisberger u. Proc Natl Acad Sci U S A. 2018 Jun 26;115(26):6584-6589. doi: 10.1073/pnas.1802963115. Epub 2018 Jun 11. Proc Natl Acad Sci U S A. 2018. PMID: 29891649 Free PMC article.

9

Isolation of a Highly Persistent Diphosphanyl Radical: The Phosphorus Analogue of a Hydrazyl This work was supported by the ETH Zürich and Swiss National Science Foundation.

Loss S, Magistrato A, Cataldo L, Hoffmann S, Geoffroy M, Röthlisberger U, Grützmacher H. Loss S, et al. Among authors: rothlisberger u. Angew Chem Int Ed Engl. 2001 Feb 16;40(4):723-726. Angew Chem Int Ed Engl. 2001. PMID: 11241603 No abstract available.

10

Accelerating rare reactive events by means of a finite electronic temperature.

VandeVondele J, Rothlisberger U. VandeVondele J, et al. Among authors: rothlisberger u. J Am Chem Soc. 2002 Jul 10;124(27):8163-71. doi: 10.1021/ja0126733. J Am Chem Soc. 2002. PMID: 12095362

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