Fink RF - Search Results

1

Paracyclophanes as model compounds for strongly interacting pi-systems. Part 1. Pseudo-ortho-dihydroxy[2.2]paracyclophane.

Schon C, Roth W, Fischer I, Pfister J, Kaiser C, Fink RF, Engels B. Schon C, et al. Among authors: fink rf. Phys Chem Chem Phys. 2010 Aug 28;12(32):9339-46. doi: 10.1039/b925634b. Epub 2010 Jun 29. Phys Chem Chem Phys. 2010. PMID: 20589276

2

Atomistic insights into the inhibition of cysteine proteases: first QM/MM calculations clarifying the regiospecificity and the inhibition potency of epoxide- and aziridine-based inhibitors.

Mladenovic M, Junold K, Fink RF, Thiel W, Schirmeister T, Engels B. Mladenovic M, et al. Among authors: fink rf. J Phys Chem B. 2008 May 1;112(17):5458-69. doi: 10.1021/jp711287c. Epub 2008 Apr 8. J Phys Chem B. 2008. PMID: 18393547

3

On the origin of the stabilization of the zwitterionic resting state of cysteine proteases: a theoretical study.

Mladenovic M, Fink RF, Thiel W, Schirmeister T, Engels B. Mladenovic M, et al. Among authors: fink rf. J Am Chem Soc. 2008 Jul 9;130(27):8696-705. doi: 10.1021/ja711043x. Epub 2008 Jun 17. J Am Chem Soc. 2008. PMID: 18557615

4

Atomistic insights into the inhibition of cysteine proteases: first QM/MM calculations clarifying the stereoselectivity of epoxide-based inhibitors.

Mladenovic M, Ansorg K, Fink RF, Thiel W, Schirmeister T, Engels B. Mladenovic M, et al. Among authors: fink rf. J Phys Chem B. 2008 Sep 18;112(37):11798-808. doi: 10.1021/jp803895f. Epub 2008 Aug 20. J Phys Chem B. 2008. PMID: 18712902

5

Exciton trapping in pi-conjugated materials: a quantum-chemistry-based protocol applied to perylene bisimide dye aggregates.

Fink RF, Seibt J, Engel V, Renz M, Kaupp M, Lochbrunner S, Zhao HM, Pfister J, Würthner F, Engels B. Fink RF, et al. J Am Chem Soc. 2008 Oct 1;130(39):12858-9. doi: 10.1021/ja804331b. Epub 2008 Sep 4. J Am Chem Soc. 2008. PMID: 18767851

6

Environmental effects on charge densities of biologically active molecules: do molecule crystal environments indeed approximate protein surroundings?

Mladenovic M, Arnone M, Fink RF, Engels B. Mladenovic M, et al. Among authors: fink rf. J Phys Chem B. 2009 Apr 16;113(15):5072-82. doi: 10.1021/jp809537v. J Phys Chem B. 2009. PMID: 19320453

7

Origin of the reactivity differences of substituted aziridines: CN vs CC bond breakages.

Paasche A, Arnone M, Fink RF, Schirmeister T, Engels B. Paasche A, et al. Among authors: fink rf. J Org Chem. 2009 Aug 7;74(15):5244-9. doi: 10.1021/jo900505q. J Org Chem. 2009. PMID: 19719251

8

Understanding ground- and excited-state properties of perylene tetracarboxylic acid bisimide crystals by means of quantum chemical computations.

Zhao HM, Pfister J, Settels V, Renz M, Kaupp M, Dehm VC, Würthner F, Fink RF, Engels B. Zhao HM, et al. Among authors: fink rf. J Am Chem Soc. 2009 Nov 4;131(43):15660-8. doi: 10.1021/ja902512e. J Am Chem Soc. 2009. PMID: 19860479

9

Paracyclophanes as model compounds for strongly interacting π-systems, part 3: influence of the substitution pattern on photoabsorption properties.

Pfister J, Schon C, Roth W, Kaiser C, Lambert C, Gruss K, Braunschweig H, Fischer I, Fink RF, Engels B. Pfister J, et al. Among authors: fink rf. J Phys Chem A. 2011 Apr 21;115(15):3583-91. doi: 10.1021/jp200823q. Epub 2011 Mar 29. J Phys Chem A. 2011. PMID: 21446736

10

Assessment of TD-DFT- and TD-HF-based approaches for the prediction of exciton coupling parameters, potential energy curves, and electronic characters of electronically excited aggregates.

Liu W, Settels V, Harbach PH, Dreuw A, Fink RF, Engels B. Liu W, et al. Among authors: fink rf. J Comput Chem. 2011 Jul 15;32(9):1971-81. doi: 10.1002/jcc.21781. Epub 2011 Apr 11. J Comput Chem. 2011. PMID: 21484836

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My Custom Filters

Publication date

Text availability

Article attribute

Article type

Article Language

Species

Sex

Age

Other

48 results

Search Page

Filters