Detalhe da pesquisa
1.
Seeking potential anticonvulsant agents that target GABAA receptors using experimental and theoretical procedures.
J Comput Aided Mol Des
; 28(12): 1217-32, 2014 Dec.
Artigo
em Inglês
| MEDLINE | ID: mdl-25298123
2.
Hydrodesulfurization of Dibenzothiophene: A Machine Learning Approach.
ChemistryOpen
; : e202400062, 2024 Apr 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-38607955
3.
Dehydrogenation reactions of cyclic C(2)B(2)N(2)H(12) and C(4)BNH(12) isomers.
J Phys Chem A
; 114(7): 2644-54, 2010 Feb 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-20112904
4.
Thermodynamic properties of the XO(2), X(2)O, XYO, X(2)O(2), and XYO(2) (X, Y = Cl, Br, and I) isomers.
J Phys Chem A
; 114(12): 4254-65, 2010 Apr 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-20187618
5.
Thermochemistry and electronic structure of small boron and boron oxide clusters and their anions.
J Phys Chem A
; 113(17): 4895-909, 2009 Apr 30.
Artigo
em Inglês
| MEDLINE | ID: mdl-19331375
6.
Thermochemistry for the dehydrogenation of methyl-substituted ammonia borane compounds.
J Phys Chem A
; 113(21): 6121-32, 2009 May 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-19422181
7.
Coordination of aminoborane, NH(2)BH(2), dictates selectivity and extent of H(2) release in metal-catalysed ammonia borane dehydrogenation.
Chem Commun (Camb)
; (48): 6597-9, 2008 Dec 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-19057791
8.
Thermochemical parameters of CHFO and CF2O.
J Phys Chem A
; 112(22): 4973-81, 2008 Jun 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-18476680
9.
Reactions of diborane with ammonia and ammonia borane: catalytic effects for multiple pathways for hydrogen release.
J Phys Chem A
; 112(40): 9946-54, 2008 Oct 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-18767778
10.
Heats of formation of triplet ethylene, ethylidene, and acetylene.
J Phys Chem A
; 112(10): 2082-7, 2008 Mar 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-18047300
11.
ClClO2 is the most stable isomer of Cl2O2. Accurate coupled cluster energetics and electronic spectra of Cl2O2 isomers.
J Phys Chem A
; 112(40): 9623-7, 2008 Oct 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-18778040
12.
Mechanism of the hydration of carbon dioxide: direct participation of H2O versus microsolvation.
J Phys Chem A
; 112(41): 10386-98, 2008 Oct 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-18816037
13.
Bond dissociation energies in second-row compounds.
J Phys Chem A
; 112(14): 3145-56, 2008 Apr 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-18351757
14.
Effect of double bonds on the conducting properties of ciguatoxin 3C and tetrahydropyrane-based polymers: a theoretical study.
J Phys Chem B
; 110(3): 1172-8, 2006 Jan 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-16471660
15.
A hybrid organic/inorganic benzene.
Angew Chem Int Ed Engl
; 48(5): 973-7, 2009.
Artigo
em Inglês
| MEDLINE | ID: mdl-19105174
16.
Efficient regeneration of partially spent ammonia borane fuel.
Angew Chem Int Ed Engl
; 48(37): 6812-6, 2009.
Artigo
em Inglês
| MEDLINE | ID: mdl-19514023
17.
Acid initiation of ammonia-borane dehydrogenation for hydrogen storage.
Angew Chem Int Ed Engl
; 46(5): 746-9, 2007.
Artigo
em Inglês
| MEDLINE | ID: mdl-17131438
18.
Fundamental thermochemical properties of amino acids: gas-phase and aqueous acidities and gas-phase heats of formation.
J Phys Chem B
; 116(9): 2905-16, 2012 Mar 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-22277062
19.
The effect of the NH2 substituent on NH3: hydrazine as an alternative for ammonia in hydrogen release in the presence of boranes and alanes.
Phys Chem Chem Phys
; 11(30): 6339-44, 2009 Aug 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-19809664
20.
Energetics and mechanism of the decomposition of trifluoromethanol.
J Phys Chem A
; 112(6): 1298-312, 2008 Feb 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-18205340