Format
Sort by
Items per page

Send to

Choose Destination

Links from PubMed

Items: 1 to 20 of 114

1.

A new reaction mode of germanium-silicon bond formation: insertion reactions of H₂GeLiF with SiH₃X (X = F, Cl, Br).

Yan B, Li W, Xiao C, Li Q, Cheng J.

J Mol Model. 2013 Oct;19(10):4537-43. doi: 10.1007/s00894-013-1970-1. Epub 2013 Aug 16.

PMID:
23949419
2.

New insights into the insertion reactions of germylenoid H2GeLiF with RH (R = F, OH, NH2).

Yan B, Li W, Xiao C, Liu Z, Li Q, Cheng J.

J Mol Model. 2015 Apr;21(4):68. doi: 10.1007/s00894-015-2626-0. Epub 2015 Mar 7.

PMID:
25750023
3.

Insight into the substitution reactions of silylenoid H2SiLiF with GeH3X (X = F, Cl, Br): a theoretical study.

Yan B, Li W, Xiao C, Li Q, Cheng J.

J Mol Model. 2015 Apr;21(4):76. doi: 10.1007/s00894-015-2640-2. Epub 2015 Mar 10.

PMID:
25754138
4.

Theoretical study on the substitution reactions of the germylenoid H2GeLiF with SiH3X (X = F, Cl, Br).

Zhang G, Qi Y, Xu C.

J Mol Model. 2016 Jun;22(6):130. doi: 10.1007/s00894-016-2997-x. Epub 2016 May 14.

PMID:
27179805
5.

Computational study of the reactions of SiH3X (X=H, Cl, Br, I) with HCN.

Islam SM, Hollett JW, Poirier RA.

J Phys Chem A. 2007 Jan 25;111(3):526-40.

PMID:
17228902
6.

Effect of substituents on the strength of A-Cl- (A = Si, Ge, and Sn) bonds in hypervalent systems: ACl5-, ACl4F-, and A(CH3)3Cl2-.

Hao C, Kaspar JD, Check CE, Lobring KC, Gilbert TM, Sunderlin LS.

J Phys Chem A. 2005 Mar 10;109(9):2026-34.

PMID:
16833538
7.

Theoretical analysis of gas-phase front-side attack identity S(N)2(C) and S(N)2(Si) reactions with retention of configuration.

Yang ZZ, Ding YL, Zhao DX.

J Phys Chem A. 2009 May 7;113(18):5432-45. doi: 10.1021/jp804951w.

PMID:
19354223
8.

Formation of the Si-B bond: insertion reactions of silylenes into B-X(X = F, Cl, Br, O, and N) bonds.

Geng B, Xu C, Chen Z.

J Mol Model. 2016 Jun;22(6):134. doi: 10.1007/s00894-016-3006-0. Epub 2016 May 17.

PMID:
27184004
9.

Oxidative addition of the fluoromethane C-F bond to Pd. An ab initio benchmark and DFT validation study.

de Jong GT, Bickelhaupt FM.

J Phys Chem A. 2005 Oct 27;109(42):9685-99.

PMID:
16866421
10.

Understanding the insight into the mechanisms and dynamics of the Cl-initiated oxidation of (CH3)3CC(O)X and the subsequent reactions in the presence of NO and O2 (X = F, Cl, and Br).

Bai FY, Lv S, Ma Y, Liu CY, He CF, Pan XM.

Chemosphere. 2017 Mar;171:49-56. doi: 10.1016/j.chemosphere.2016.12.037. Epub 2016 Dec 10.

PMID:
28002766
11.

The addition reactions of germylenoid H2GeAlCl3 with ethylene: a theoretical investigation.

Zhang M, Li W, Li Q, Cheng J.

J Mol Model. 2017 Jul;23(7):199. doi: 10.1007/s00894-017-3375-z. Epub 2017 Jun 7.

PMID:
28593344
12.
13.

Should contemporary density functional theory methods be used to study the thermodynamics of radical reactions?

Izgorodina EI, Brittain DR, Hodgson JL, Krenske EH, Lin CY, Namazian M, Coote ML.

J Phys Chem A. 2007 Oct 25;111(42):10754-68. Epub 2007 Sep 22.

PMID:
17887739
14.

Formation and reactivity of [(tacn)-N-CO-Re(III)Br(CO)(2)](+) in water: a theoretical and experimental study.

Zobi F, Blacque O, Steyl G, Spingler B, Alberto R.

Inorg Chem. 2009 Jun 1;48(11):4963-70. doi: 10.1021/ic9002803.

PMID:
19378952
15.

Ab initio study of mechanism of forming a spiro-heterocyclic ring compound with Si and Ge between dimethylsilylene germylidene (Me(2)Si = Ge:) and acetone.

Lu X, Lian Z, Li Y, Wang Z.

J Mol Model. 2012 Sep;18(9):4209-15. doi: 10.1007/s00894-012-1415-2. Epub 2012 May 4.

PMID:
22552752
16.

Energetics of C-F, C-Cl, C-Br, and C-I bonds in 2-haloethanols. enthalpies of formation of XCH(2)CH(2)OH (X = F, Cl, Br, I) compounds and of the 2-hydroxyethyl radical.

Bernardes CE, Minas da Piedade ME, Amaral LM, Ferreira AI, Ribeiro da Silva MA, Diogo HP, Costa Cabral BJ.

J Phys Chem A. 2007 Mar 8;111(9):1713-20. Epub 2007 Feb 9.

PMID:
17288411
17.

An ab-initio study of some homolytic substitution reactions of acyl radicals at silicon, germanium and tint.

Matsubara H, Schiesser CH.

Org Biomol Chem. 2003 Dec 7;1(23):4335-41. Epub 2003 Oct 29.

PMID:
14685338
18.

Theoretical study of the kinetics of reactions of the monohalogenated methanes with atomic chlorine.

Brudnik K, Twarda M, Sarzyński D, Jodkowski JT.

J Mol Model. 2013 Apr;19(4):1489-505. doi: 10.1007/s00894-012-1709-4. Epub 2012 Dec 14.

19.

Topological characteristics of electron density distribution in SSXY --> XSSY (X or Y = F, Cl, Br, I) isomerization reactions.

Zeng Y, Meng L, Li X, Zheng S.

J Phys Chem A. 2007 Sep 20;111(37):9093-101. Epub 2007 Aug 29.

PMID:
17725332
20.

Theoretical study of the reaction kinetics of atomic bromine with tetrahydropyran.

Giri BR, Lo JM, Roscoe JM, Alquaity AB, Farooq A.

J Phys Chem A. 2015 Feb 12;119(6):933-42. doi: 10.1021/jp510987q. Epub 2015 Jan 29.

PMID:
25584881

Supplemental Content

Support Center