Computational study of room temperature molten salts composed by 1-alkyl-3-methylimidazolium cations force-field proposal and validation J De Andrade, ES Böes, H Stassen The journal of physical chemistry B 106 (51), 13344-13351, 2002 | 389 | 2002 |
A force field for liquid state simulations on room temperature molten salts: 1-ethyl-3-methylimidazolium tetrachloroaluminate J de Andrade, ES Böes, H Stassen The Journal of Physical Chemistry B 106 (14), 3546-3548, 2002 | 193 | 2002 |
Imidazolium salt ion pairs in solution HK Stassen, R Ludwig, A Wulf, J Dupont Chemistry–A European Journal 21 (23), 8324-8335, 2015 | 186 | 2015 |
Solvation of monovalent anions in acetonitrile and N, N-dimethylformamide: Parameterization of the IEF-PCM model ES Böes, PR Livotto, H Stassen Chemical physics 331 (1), 142-158, 2006 | 123 | 2006 |
Calculation of the free energy of solvation from molecular dynamics simulations PFB Gonçalves, H Stassen Pure and applied chemistry 76 (1), 231-240, 2004 | 61 | 2004 |
Defeating bacterial resistance and preventing mammalian cells toxicity through rational design of antibiotic-functionalized nanoparticles JFA de Oliveira, Â Saito, AT Bido, J Kobarg, HK Stassen, MB Cardoso Scientific reports 7 (1), 1326, 2017 | 55 | 2017 |
The formation of imidazolium salt intimate (contact) ion pairs in solution M Zanatta, AL Girard, NM Simon, G Ebeling, HK Stassen, PR Livotto, ... Angewandte Chemie International Edition 53 (47), 12817-12821, 2014 | 54 | 2014 |
Confined water in imidazolium based ionic liquids: a supramolecular guest@ host complex case M Zanatta, AL Girard, G Marin, G Ebeling, FP Dos Santos, C Valsecchi, ... Physical Chemistry Chemical Physics 18 (27), 18297-18304, 2016 | 47 | 2016 |
Molecular dynamics simulations of the depolarized light scattering spectra of liquid OCS in comparison with experiment and simulations of CO2 and CS2 H Stassen, T Dorfmüller, BM Ladanyi The Journal of chemical physics 100 (9), 6318-6330, 1994 | 46 | 1994 |
Self-assembly and structural characterization of Echinococcus granulosus antigen B recombinant subunit oligomers KM Monteiro, SMN Scapin, MVAS Navarro, NIT Zanchin, MB Cardoso, ... Biochimica et Biophysica Acta (BBA)-Proteins and Proteomics 1774 (2), 278-285, 2007 | 43 | 2007 |
Simulation studies of shear viscosity time‐correlation‐functions H Stassen, WA Steele The Journal of chemical physics 102 (2), 932-938, 1995 | 43 | 1995 |
Cation−Anion−CO2 Interactions in Imidazolium‐Based Ionic Liquid Sorbents NM Simon, M Zanatta, J Neumann, AL Girard, G Marin, H Stassen, ... ChemPhysChem 19 (21), 2879-2884, 2018 | 41 | 2018 |
Membrane-disruptive properties of the bioinsecticide Jaburetox-2Ec: implications to the mechanism of the action of insecticidal peptides derived from ureases PR Barros, H Stassen, MS Freitas, CR Carlini, MAC Nascimento, ... Biochimica et Biophysica Acta (BBA)-Proteins and Proteomics 1794 (12), 1848-1854, 2009 | 41 | 2009 |
Liquid-phase structure of dialkylimidazolium ionic liquids from computer simulations J de Andrade, ES Boes, H Stassen The Journal of Physical Chemistry B 112 (30), 8966-8974, 2008 | 37 | 2008 |
On the pair potential in dense fluid methane H Stassen Journal of Molecular Structure: THEOCHEM 464 (1-3), 107-119, 1999 | 37 | 1999 |
Molecular dynamics investigations of PRODAN in a DLPC bilayer WK Nitschke, CC Vequi-Suplicy, K Coutinho, H Stassen The Journal of Physical Chemistry B 116 (9), 2713-2721, 2012 | 34 | 2012 |
Many‐body correlations in the interaction‐induced light scattering from liquid CS2 H Stassen, WA Steele The Journal of chemical physics 103 (11), 4408-4417, 1995 | 34 | 1995 |
Many‐body correlations and the cancellation effect in the Green–Kubo time correlation functions for the shear viscosity H Stassen, WA Steele The Journal of chemical physics 102 (21), 8533-8540, 1995 | 29 | 1995 |
Instantaneous normal mode analysis of binary liquid Ar Kr mixtures H Stassen, ZE Gburski Chemical physics letters 217 (3), 325-332, 1994 | 27 | 1994 |
Molecular dynamics simulations of acetonitrile/dimethyl sulfoxide liquid mixtures E Bernardi, H Stassen The Journal of chemical physics 120 (10), 4860-4867, 2004 | 25 | 2004 |