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Items: 1 to 20 of 104

1.

The role of multifunctional kinetics during early-stage silicon hydride pyrolysis: reactivity of Si2H2 isomers with SiH4 and Si2H6.

Adamczyk AJ, Broadbelt LJ.

J Phys Chem A. 2011 Mar 24;115(11):2409-22. doi: 10.1021/jp1118376. Epub 2011 Mar 1.

PMID:
21361329
2.

Kinetic correlations for H2 addition and elimination reaction mechanisms during silicon hydride pyrolysis.

Adamczyk AJ, Reyniers MF, Marin GB, Broadbelt LJ.

Phys Chem Chem Phys. 2010 Oct 21;12(39):12676-96. doi: 10.1039/c0cp00666a. Epub 2010 Aug 23.

PMID:
20733986
3.

Kinetics of substituted silylene addition and elimination in silicon nanocluster growth captured by group additivity.

Adamczyk AJ, Reyniers MF, Marin GB, Broadbelt LJ.

Chemphyschem. 2010 Jun 21;11(9):1978-94. doi: 10.1002/cphc.200900836.

PMID:
20549662
4.
5.

Ab initio chemical kinetics for SiH3 reactions with Si(x)H2x+2 (x = 1-4).

Raghunath P, Lin MC.

J Phys Chem A. 2010 Dec 30;114(51):13353-61. doi: 10.1021/jp1082196. Epub 2010 Dec 3.

PMID:
21128622
6.

Exploring 1,2-hydrogen shift in silicon nanoparticles: reaction kinetics from quantum chemical calculations and derivation of transition state group additivity database.

Adamczyk AJ, Reyniers MF, Marin GB, Broadbelt LJ.

J Phys Chem A. 2009 Oct 15;113(41):10933-46. doi: 10.1021/jp9062516.

PMID:
19764804
7.

Kinetic Monte Carlo simulations of surface growth during plasma deposition of silicon thin films.

Pandey SC, Singh T, Maroudas D.

J Chem Phys. 2009 Jul 21;131(3):034503. doi: 10.1063/1.3152846.

PMID:
19624205
8.

Ab initio chemical kinetic study for reactions of H atoms with SiH(4) and Si(2)H(6): comparison of theory and experiment.

Wu SY, Raghunath P, Wu JS, Lin MC.

J Phys Chem A. 2010 Jan 14;114(1):633-9. doi: 10.1021/jp908222g.

PMID:
19938820
9.

Thermal decomposition mechanism of disilane.

Yoshida K, Matsumoto K, Oguchi T, Tonokura K, Koshi M.

J Phys Chem A. 2006 Apr 13;110(14):4726-31.

PMID:
16599440
10.

Iridium compounds with kappa-P,P,Si (biPSi) pincer ligands: favoring reactive structures in unsaturated complexes.

Sola E, García-Camprubí A, Andrés JL, Martín M, Plou P.

J Am Chem Soc. 2010 Jul 7;132(26):9111-21. doi: 10.1021/ja102479h.

PMID:
20540525
11.

Monobridged Si2H4.

McCarthy MC, Yu Z, Sari L, Schaefer HF, Thaddeus P.

J Chem Phys. 2006 Feb 21;124(7):74303.

PMID:
16497032
12.

Ab initio chemical kinetics for SiH2 + Si2H6 and SiH3 + Si2H5 reactions and the related unimolecular decomposition of Si3H8 under a-Si/H CVD conditions.

Raghunath P, Lin MC.

J Phys Chem A. 2013 Oct 24;117(42):10811-23. doi: 10.1021/jp407553a. Epub 2013 Oct 9.

PMID:
24059703
13.

Kinetic study on the H + SiH4 abstraction reaction using an ab initio potential energy surface.

Cao J, Zhang Z, Zhang C, Bian W, Guo Y.

J Chem Phys. 2011 Jan 14;134(2):024315. doi: 10.1063/1.3521477.

PMID:
21241107
14.

Multiple silicon-hydrogen bond activations at adjacent rhodium and iridium centers.

Mobarok MH, Oke O, Ferguson MJ, McDonald R, Cowie M.

Inorg Chem. 2010 Dec 20;49(24):11556-72. doi: 10.1021/ic1017196. Epub 2010 Nov 15.

PMID:
21077657
15.

Ab initio chemical kinetics for the reaction of an H atom with Si3H8.

Varma DH, Raghunath P, Lin MC.

J Phys Chem A. 2010 Mar 18;114(10):3642-8. doi: 10.1021/jp911574k.

PMID:
20178354
16.
17.

Mono- and dibridged isomers of Si2H3 and Si2H4: the true ground state global minima. Theory and experiment in concert.

Sari L, McCarthy MC, Schaefer HF 3rd, Thaddeus P.

J Am Chem Soc. 2003 Sep 17;125(37):11409-17.

PMID:
16220964
18.

Theoretical and kinetic study of the H + C2H5CN reaction.

Sun J, Tang Y, Sun H, Jia X, Pan X, Wang R.

J Comput Chem. 2010 Apr 30;31(6):1126-34. doi: 10.1002/jcc.21397.

PMID:
19862810
19.

First-principles thermochemistry for silicon species in the decomposition of tetraethoxysilane.

Phadungsukanan W, Shekar S, Shirley R, Sander M, West RH, Kraft M.

J Phys Chem A. 2009 Aug 6;113(31):9041-9. doi: 10.1021/jp905494s.

PMID:
19603756
20.

Interactions between radical growth precursors on plasma-deposited silicon thin-film surfaces.

Bakos T, Valipa MS, Maroudas D.

J Chem Phys. 2007 Mar 21;126(11):114704.

PMID:
17381225

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