Havenith RWA - Search Results

1

Revisiting the reaction pathways for phospholipid hydrolysis catalyzed by phospholipase A2 with QM/MM methods.

Pinto AV, Ferreira P, Cunha AV, Havenith RWA, Magalhães AL, Ramos MJ, Fernandes PA. Pinto AV, et al. Among authors: havenith rwa. Chem Sci. 2024 May 22;15(25):9793-9805. doi: 10.1039/d4sc02315c. eCollection 2024 Jun 26. Chem Sci. 2024. PMID: 38939148 Free PMC article.

2

Theoretical study of the stable radicals galvinoxyl, azagalvinoxyl and wurster's blue perchlorate in the solid state.

Havenith RW, de Wijs GA, Attema JJ, Niermann N, Speller S, de Groot RA. Havenith RW, et al. J Phys Chem A. 2008 Aug 21;112(33):7734-8. doi: 10.1021/jp801987d. Epub 2008 Jul 30. J Phys Chem A. 2008. PMID: 18665571

3

Synthesis and structural characterization of heteroboroxines with MB2O3 core (M = Sb, Bi, Sn).

Mairychová B, Svoboda T, Štěpnička P, Růžička A, Havenith RW, Alonso M, De Proft F, Jambor R, Dostál L. Mairychová B, et al. Inorg Chem. 2013 Feb 4;52(3):1424-31. doi: 10.1021/ic302153s. Epub 2013 Jan 17. Inorg Chem. 2013. PMID: 23327544

4

Theoretical Study of the Charge Transfer Exciton Binding Energy in Semiconductor Materials for Polymer:Fullerene-Based Bulk Heterojunction Solar Cells.

Izquierdo MA, Broer R, Havenith RWA. Izquierdo MA, et al. Among authors: havenith rwa. J Phys Chem A. 2019 Feb 14;123(6):1233-1242. doi: 10.1021/acs.jpca.8b12292. Epub 2019 Feb 1. J Phys Chem A. 2019. PMID: 30676720 Free PMC article.

5

Correction to "Charge Recombination Suppressed by Destructive Quantum Interference in Heterojunction Materials".

Tempelaar R, Koster LJ, Havenith RW, Knoester J, Jansen TL. Tempelaar R, et al. J Phys Chem Lett. 2016 Sep 15;7(18):3659. doi: 10.1021/acs.jpclett.6b01956. Epub 2016 Sep 6. J Phys Chem Lett. 2016. PMID: 27598409 No abstract available.

6

Stability and aromaticity of the cyclopenta-fused pyrene congeners.

Havenith RW, Jiao H, Jenneskens LW, van Lenthe JH, Sarobe M, Schleyer Pv, Kataoka M, Necula A, Scott LT. Havenith RW, et al. J Am Chem Soc. 2002 Mar 13;124(10):2363-70. doi: 10.1021/ja011538n. J Am Chem Soc. 2002. PMID: 11878993

7

Particle on a boron disk: ring currents and disk aromaticity in B20(2-).

Tai TB, Havenith RW, Teunissen JL, Dok AR, Hallaert SD, Nguyen MT, Ceulemans A. Tai TB, et al. Inorg Chem. 2013 Sep 16;52(18):10595-600. doi: 10.1021/ic401596s. Epub 2013 Sep 6. Inorg Chem. 2013. PMID: 24011355

8

The electronic structure of inorganic benzenes: valence bond and ring-current descriptions.

Engelberts JJ, Havenith RW, van Lenthe JH, Jenneskens LW, Fowler PW. Engelberts JJ, et al. Inorg Chem. 2005 Jul 25;44(15):5266-72. doi: 10.1021/ic050017o. Inorg Chem. 2005. PMID: 16022524

9

Diorganoruthenium complexes incorporating noninnocent [C(6)H(2)(CH(2)ER(2))(2)-3,5](2)(2-) (E = N, P) bis-pincer bridging ligands: synthesis, spectroelectrochemistry, and DFT studies.

Gagliardo M, Amijs CH, Lutz M, Spek AL, Havenith RW, Hartl F, van Klink GP, van Koten G. Gagliardo M, et al. Inorg Chem. 2007 Dec 24;46(26):11133-44. doi: 10.1021/ic701501q. Epub 2007 Dec 1. Inorg Chem. 2007. PMID: 18052055

10

Resonance and aromaticity: an ab initio valence bond approach.

Rashid Z, van Lenthe JH, Havenith RW. Rashid Z, et al. J Phys Chem A. 2012 May 17;116(19):4778-88. doi: 10.1021/jp211105t. Epub 2012 May 4. J Phys Chem A. 2012. PMID: 22559175

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