1413 related articles for article (PubMed ID: 18767778)
1. Reactions of diborane with ammonia and ammonia borane: catalytic effects for multiple pathways for hydrogen release.
Nguyen VS; Matus MH; Nguyen MT; Dixon DA
J Phys Chem A; 2008 Oct; 112(40):9946-54. PubMed ID: 18767778
[TBL] [Abstract][Full Text] [Related]
2. Computational study of the release of H2 from ammonia borane dimer (BH3NH3)2 and its ion pair isomers.
Nguyen VS; Matus MH; Grant DJ; Nguyen MT; Dixon DA
J Phys Chem A; 2007 Sep; 111(36):8844-56. PubMed ID: 17705356
[TBL] [Abstract][Full Text] [Related]
3. Molecular mechanism for H2 release from BH3NH3, including the catalytic role of the Lewis acid BH3.
Nguyen MT; Nguyen VS; Matus MH; Gopakumar G; Dixon DA
J Phys Chem A; 2007 Feb; 111(4):679-90. PubMed ID: 17249759
[TBL] [Abstract][Full Text] [Related]
4. Mechanism of the hydration of carbon dioxide: direct participation of H2O versus microsolvation.
Nguyen MT; Matus MH; Jackson VE; Vu TN; Rustad JR; Dixon DA
J Phys Chem A; 2008 Oct; 112(41):10386-98. PubMed ID: 18816037
[TBL] [Abstract][Full Text] [Related]
5. The effect of the NH2 substituent on NH3: hydrazine as an alternative for ammonia in hydrogen release in the presence of boranes and alanes.
Vinh-Son N; Swinnen S; Matus MH; Nguyen MT; Dixon DA
Phys Chem Chem Phys; 2009 Aug; 11(30):6339-44. PubMed ID: 19809664
[TBL] [Abstract][Full Text] [Related]
6. Thermodynamic properties of molecular borane amines and the [BH4-][NH4+] salt for chemical hydrogen storage systems from ab initio electronic structure theory.
Dixon DA; Gutowski M
J Phys Chem A; 2005 Jun; 109(23):5129-35. PubMed ID: 16833867
[TBL] [Abstract][Full Text] [Related]
7. A theoretical study of the reaction mechanism and product branching ratios of C2H + C2H4 and related reactions on the C4H5 potential energy surface.
Krishtal SP; Mebel AM; Kaiser RI
J Phys Chem A; 2009 Oct; 113(42):11112-28. PubMed ID: 19610595
[TBL] [Abstract][Full Text] [Related]
8. Theoretical study of the binding of silane (SiH4) with borane (BH3), diborane (B2H6), and boron trichloride (BCl3): the role of core-electron correlation.
Xu P; Gordon MS; Nguyen B
J Phys Chem A; 2012 Nov; 116(47):11668-72. PubMed ID: 23102377
[TBL] [Abstract][Full Text] [Related]
9. Heats of formation of diphosphene, phosphinophosphinidene, diphosphine, and their methyl derivatives, and mechanism of the borane-assisted hydrogen release.
Matus MH; Nguyen MT; Dixon DA
J Phys Chem A; 2007 Mar; 111(9):1726-36. PubMed ID: 17298044
[TBL] [Abstract][Full Text] [Related]
10. The reaction of tricarbon with acetylene: an ab initio/RRKM study of the potential energy surface and product branching ratios.
Mebel AM; Kim GS; Kislov VV; Kaiser RI
J Phys Chem A; 2007 Jul; 111(29):6704-12. PubMed ID: 17391012
[TBL] [Abstract][Full Text] [Related]
11. Ab initio study of hydrogen-bond formation between aliphatic and phenolic hydroxy groups and selected amino acid side chains.
Nagy PI; Erhardt PW
J Phys Chem A; 2008 May; 112(18):4342-54. PubMed ID: 18373368
[TBL] [Abstract][Full Text] [Related]
12. Computational study of the initial stage of diborane pyrolysis.
Sun B; McKee ML
Inorg Chem; 2013 May; 52(10):5962-9. PubMed ID: 23642109
[TBL] [Abstract][Full Text] [Related]
13. Theoretical study of the C6H3 potential energy surface and rate constants and product branching ratios of the C2H(2Sigma+) + C4H2(1Sigma(g)+) and C4H(2Sigma+) + C2H2(1Sigma(g)+) reactions.
Landera A; Krishtal SP; Kislov VV; Mebel AM; Kaiser RI
J Chem Phys; 2008 Jun; 128(21):214301. PubMed ID: 18537416
[TBL] [Abstract][Full Text] [Related]
14. Characterization of singlet ground and low-lying electronic excited states of phosphaethyne and isophosphaethyne.
Ingels JB; Turney JM; Richardson NA; Yamaguchi Y; Schaefer HF
J Chem Phys; 2006 Sep; 125(10):104306. PubMed ID: 16999525
[TBL] [Abstract][Full Text] [Related]
15. Computational investigation of the conrotatory and disrotatory isomerization channels of bicyclo[1.1.0]butane to buta-1,3-diene: a completely renormalized coupled-cluster study.
Kinal A; Piecuch P
J Phys Chem A; 2007 Feb; 111(4):734-42. PubMed ID: 17249766
[TBL] [Abstract][Full Text] [Related]
16. Mechanistic aspects of propene epoxidation by hydrogen peroxide. Catalytic role of water molecules, external electric field, and zeolite framework of TS-1.
Stare J; Henson NJ; Eckert J
J Chem Inf Model; 2009 Apr; 49(4):833-46. PubMed ID: 19267473
[TBL] [Abstract][Full Text] [Related]
17. CCSD(T) complete basis set limit relative energies for low-lying water hexamer structures.
Bates DM; Tschumper GS
J Phys Chem A; 2009 Apr; 113(15):3555-9. PubMed ID: 19354314
[TBL] [Abstract][Full Text] [Related]
18. Diammoniosilane: computational prediction of the thermodynamic properties of a potential chemical hydrogen storage system.
Grant DJ; Arduengo AJ; Dixon DA
J Phys Chem A; 2009 Jan; 113(4):750-5. PubMed ID: 19123851
[TBL] [Abstract][Full Text] [Related]
19. Proton-transfer and H2-elimination reactions of main-group hydrides EH4- (E = B, Al, Ga) with alcohols.
Filippov OA; Filin AM; Tsupreva VN; Belkova NV; Lledós A; Ujaque G; Epstein LM; Shubina ES
Inorg Chem; 2006 Apr; 45(7):3086-96. PubMed ID: 16562965
[TBL] [Abstract][Full Text] [Related]
20. Computational study of methyl derivatives of ammonia borane for hydrogen storage.
Sun CH; Yao XD; Du AJ; Li L; Smith S; Lu GQ
Phys Chem Chem Phys; 2008 Oct; 10(40):6104-6. PubMed ID: 18846299
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]