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1.
Molecular Catalysis of the Electrochemical and Photochemical Reduction of CO2 with Earth-Abundant Metal Complexes. Selective Production of CO vs HCOOH by Switching of the Metal Center.
J Am Chem Soc
; 137(34): 10918-21, 2015 Sep 02.
Artículo
en Inglés
| MEDLINE | ID: mdl-26267016
2.
Probing the reactivity of microhydrated α-nucleophile in the anionic gas-phase S(N)2 reaction.
J Comput Chem
; 36(11): 844-52, 2015 Apr 30.
Artículo
en Inglés
| MEDLINE | ID: mdl-25760852
3.
Strongly phosphorescent neutral rhenium(i) isocyanoborato complexes: synthesis, characterization, and photophysical, electrochemical, and computational studies.
Chemistry
; 21(6): 2603-12, 2015 Feb 02.
Artículo
en Inglés
| MEDLINE | ID: mdl-25504822
4.
Dual-Emissive Cyclometalated Iridium(III) Polypyridine Complexes as Ratiometric Biological Probes and Organelle-Selective Bioimaging Reagents.
Inorg Chem
; 54(13): 6582-93, 2015 Jul 06.
Artículo
en Inglés
| MEDLINE | ID: mdl-26087119
5.
Concerted or stepwise mechanism? New insight into the water-mediated neutral hydrolysis of carbonyl sulfide.
J Phys Chem A
; 118(19): 3503-13, 2014 May 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-24754754
6.
G2(+)M study on N-alkylamino cation affinities of neutral main-group element hydrides: trends across the periodic table.
J Phys Chem A
; 118(18): 3351-9, 2014 May 08.
Artículo
en Inglés
| MEDLINE | ID: mdl-24738576
7.
Catalytic water oxidation by ruthenium(II) quaterpyridine (qpy) complexes: evidence for ruthenium(III) qpy-N,N'''-dioxide as the real catalysts.
Angew Chem Int Ed Engl
; 53(52): 14468-71, 2014 Dec 22.
Artículo
en Inglés
| MEDLINE | ID: mdl-25348095
8.
The α-effect exhibited in gas-phase S(N)2@N and S(N)2@C reactions.
J Comput Chem
; 34(23): 1997-2005, 2013 Sep 05.
Artículo
en Inglés
| MEDLINE | ID: mdl-23784794
9.
Insight into the role of the counteranion of an imidazolium salt in organocatalysis: a combined experimental and computational study.
Chemistry
; 17(21): 5965-71, 2011 May 16.
Artículo
en Inglés
| MEDLINE | ID: mdl-21506177
10.
Comprehensive theoretical studies on the gas phase SN2 reactions of anionic nucleophiles toward chloroamine and N-chlorodimethylamine with inversion and retention mechanisms.
J Phys Chem A
; 115(47): 13965-74, 2011 Dec 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-21988223
11.
Enhanced reactivity of RC[triple bond]CZ- (R = H and Cl; Z = O, S, and Se) and the influence of leaving group on the alpha-effect in the E2 reactions.
J Org Chem
; 75(12): 4212-7, 2010 Jun 18.
Artículo
en Inglés
| MEDLINE | ID: mdl-20481599
12.
Cooperative effect of solvent in the neutral hydration of ketenimine: an ab initio study using the hybrid cluster/continuum model.
J Phys Chem A
; 114(1): 595-602, 2010 Jan 14.
Artículo
en Inglés
| MEDLINE | ID: mdl-20000561
13.
Novel Consensus Gene Selection Criteria for Distributed GPU Partial Least Squares-Based Gene Microarray Analysis in Diffused Large B Cell Lymphoma (DLBCL) and Related Findings.
IEEE/ACM Trans Comput Biol Bioinform
; 15(6): 2039-2052, 2018.
Artículo
en Inglés
| MEDLINE | ID: mdl-28991749
14.
Cooperative effect of water molecules in the self-catalyzed neutral hydrolysis of isocyanic acid: a comprehensive theoretical study.
J Mol Model
; 17(8): 2069-82, 2011 Aug.
Artículo
en Inglés
| MEDLINE | ID: mdl-21161555
15.
Exploring the Reactivity Trends in the E2 and SN2 Reactions of X(-) + CH3CH2Cl (X = F, Cl, Br, HO, HS, HSe, NH2 PH2, AsH2, CH3, SiH3, and GeH3).
J Chem Theory Comput
; 5(6): 1597-606, 2009 Jun 09.
Artículo
en Inglés
| MEDLINE | ID: mdl-26609852
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