Detalhe da pesquisa
1.
Quantification and cytotoxicity of degradation products (chloropropanols) in sucralose containing e-liquids with propylene glycol and glycerol as base.
Toxicol Appl Pharmacol
; 430: 115727, 2021 11 01.
Artigo
Inglês
| MEDLINE | ID: mdl-34543670
2.
Is the Hexacyanoferrate(II) Anion Stable in Aqueous Solution? A Combined Theoretical and Experimental Study.
Inorg Chem
; 54(21): 10335-41, 2015 Nov 02.
Artigo
Inglês
| MEDLINE | ID: mdl-26457967
3.
Ab initio quantum mechanical simulations confirm the formation of all postulated species in ionic dissociation.
Phys Chem Chem Phys
; 16(16): 7368-76, 2014 Apr 28.
Artigo
Inglês
| MEDLINE | ID: mdl-24623175
4.
Lanthanide-IMAC enrichment of carbohydrates and polyols.
Biomed Chromatogr
; 28(3): 412-8, 2014 Mar.
Artigo
Inglês
| MEDLINE | ID: mdl-24097333
5.
Largely reduced grid densities in a vibrational self-consistent field treatment do not significantly impact the resultingwavenumbers.
Molecules
; 19(12): 21253-75, 2014 Dec 17.
Artigo
Inglês
| MEDLINE | ID: mdl-25525825
6.
Isoleucine as a possible bridge between exogenous delivery and terrestrial enhancement of homochirality.
Amino Acids
; 44(2): 725-32, 2013 Feb.
Artigo
Inglês
| MEDLINE | ID: mdl-22968664
7.
A new type of metal chelate affinity chromatography using trivalent lanthanide ions for phosphopeptide enrichment.
Analyst
; 138(10): 2995-3004, 2013 May 21.
Artigo
Inglês
| MEDLINE | ID: mdl-23552617
8.
Dynamics of ligand exchange mechanism at Cu(II) in water: an ab initio quantum mechanical charge field molecular dynamics study with extended quantum mechanical region.
J Chem Phys
; 139(1): 014503, 2013 Jul 07.
Artigo
Inglês
| MEDLINE | ID: mdl-23822310
9.
Chemical evolution from simple inorganic compounds to chiral peptides.
Chem Soc Rev
; 41(16): 5484-9, 2012 Aug 21.
Artigo
Inglês
| MEDLINE | ID: mdl-22733315
10.
A QMCF-MD investigation of the structure and dynamics of Ce4+ in aqueous solution.
Inorg Chem
; 51(12): 6746-52, 2012 Jun 18.
Artigo
Inglês
| MEDLINE | ID: mdl-22651096
11.
Guanidinium in aqueous solution studied by quantum mechanical charge field-molecular dynamics (QMCF-MD).
Phys Chem Chem Phys
; 14(19): 7012-27, 2012 May 21.
Artigo
Inglês
| MEDLINE | ID: mdl-22482114
12.
Hydration of trivalent lanthanum revisited - An ab initio QMCF-MD approach.
Chem Phys Lett
; 536(4): 50-54, 2012 May 21.
Artigo
Inglês
| MEDLINE | ID: mdl-23564962
13.
Computational study of the cerium(III) ion in aqueous environment.
Chem Phys Lett
; 539-540(8): 50-53, 2012 Jun 29.
Artigo
Inglês
| MEDLINE | ID: mdl-23564963
14.
Structure and dynamics of methanol in water: a quantum mechanical charge field molecular dynamics study.
J Comput Chem
; 32(5): 886-92, 2011 Apr 15.
Artigo
Inglês
| MEDLINE | ID: mdl-20949513
15.
Sulfur dioxide in water: structure and dynamics studied by an ab initio quantum mechanical charge field molecular dynamics simulation.
Inorg Chem
; 50(8): 3379-86, 2011 Apr 18.
Artigo
Inglês
| MEDLINE | ID: mdl-21417290
16.
Selective adsorption and chiral amplification of amino acids in vermiculite clay-implications for the origin of biochirality.
Phys Chem Chem Phys
; 13(3): 831-8, 2011 Jan 21.
Artigo
Inglês
| MEDLINE | ID: mdl-21031170
17.
Hydrogen bond formation of formamide and N-methylformamide in aqueous solution studied by quantum mechanical charge field-molecular dynamics (QMCF-MD).
Phys Chem Chem Phys
; 13(26): 12173-85, 2011 Jul 14.
Artigo
Inglês
| MEDLINE | ID: mdl-21647491
18.
Structure and dynamics of the Zr(4+) ion in water.
Phys Chem Chem Phys
; 13(1): 224-9, 2011 Jan 07.
Artigo
Inglês
| MEDLINE | ID: mdl-21103539
19.
Hydration of highly charged ions.
Chem Phys Lett
; 512(4-6): 139-145, 2011 Aug.
Artigo
Inglês
| MEDLINE | ID: mdl-22298911
20.
An ab initio quantum mechanical charge field molecular dynamics simulation of a dilute aqueous HCl solution.
J Comput Chem
; 31(8): 1785-92, 2010 Jun.
Artigo
Inglês
| MEDLINE | ID: mdl-20020473