Xie Y - Search Results

1

Tris(butadiene) Metal Complexes of the First-Row Transition Metals versus Coupling of Butadiene to Eight- and Twelve-Carbon Hydrocarbon Chains.

Fan Q, Li H, Fu J, Fan Z, Xu Y, Feng H, Xie Y, King RB, Schaefer HF 3rd. Fan Q, et al. Among authors: xie y. J Phys Chem A. 2019 Jul 5;123(26):5542-5554. doi: 10.1021/acs.jpca.9b03063. Epub 2019 Jun 25. J Phys Chem A. 2019. PMID: 31181165

2

Molecules for materials: germanium hydride neutrals and anions. Molecular structures, electron affinities, and thermochemistry of GeHn/GeHn- (n = 0-4) and Ge2Hn/Ge2Hn(-) (n = 0-6).

Li QS, Lü RH, Xie Y, Schaefer HF 3rd. Li QS, et al. Among authors: xie y. J Comput Chem. 2002 Dec;23(16):1642-55. doi: 10.1002/jcc.10397. J Comput Chem. 2002. PMID: 12395430

3

Molecules for materials: structures, thermochemistry, and electron affinities of the digermanium fluorides Ge2Fn/Ge2Fn- (n = 1-6): a wealth of unusual structures.

Li Q, Li G, Xu W, Xie Y, Schaefer HF 3rd. Li Q, et al. Among authors: xie y. Chemphyschem. 2002 Feb 15;3(2):179-94. doi: 10.1002/1439-7641(20020215)3:2<179::AID-CPHC179>3.0.CO;2-4. Chemphyschem. 2002. PMID: 12503125

4

The radical anions and the electron affinities of perfluorinated benzene, naphthalene and anthracene.

Xie Y, Schaefer HF 3rd, Cotton FA. Xie Y, et al. Chem Commun (Camb). 2003 Jan 7;(1):102-3. doi: 10.1039/b208831m. Chem Commun (Camb). 2003. PMID: 12610986

5

Binuclear homoleptic manganese carbonyls: Mn2(CO)x (x = 10, 9, 8, 7).

Xie Y, Jang JH, King RB, Schaefer HF 3rd. Xie Y, et al. Inorg Chem. 2003 Aug 25;42(17):5219-30. doi: 10.1021/ic030118r. Inorg Chem. 2003. PMID: 12924893

6

The rule breaking Cr2(CO)10. A 17 electron Cr system or a Cr=Cr double bond?

Li S, Richardson NA, Xie Y, King RB, Schaefer HF 3rd. Li S, et al. Among authors: xie y. Faraday Discuss. 2003;124:315-29; discussion 343-52, 453-5. doi: 10.1039/b210975c. Faraday Discuss. 2003. PMID: 14527223

7

The arsenic clusters Asn (n = 1-5) and their anions: structures, thermochemistry, and electron affinities.

Zhao Y, Xu W, Li Q, Xie Y, Schaefer HF 3rd. Zhao Y, et al. Among authors: xie y. J Comput Chem. 2004 May;25(7):907-20. doi: 10.1002/jcc.20014. J Comput Chem. 2004. PMID: 15027104

8

Hypervalency avoided: simple substituted BrF3 and BrF5 molecules. Structures, thermochemistry, and electron affinities of the bromine hydrogen fluorides HBrF2 and HBrF4.

Li Q, Gong L, Xie Y, Schaefer HF 3rd. Li Q, et al. Among authors: xie y. J Am Chem Soc. 2004 Nov 17;126(45):14950-9. doi: 10.1021/ja040110w. J Am Chem Soc. 2004. PMID: 15535723

9

Glycosidic bond cleavage of pyrimidine nucleosides by low-energy electrons: a theoretical rationale.

Gu J, Xie Y, Schaefer HF 3rd. Gu J, et al. Among authors: xie y. J Am Chem Soc. 2005 Jan 26;127(3):1053-7. doi: 10.1021/ja0400990. J Am Chem Soc. 2005. PMID: 15656644

10

The dichotomy of dimetallocenes: coaxial versus perpendicular dimetal units in sandwich compounds.

Xie Y, Schaefer Iii HF, King RB. Xie Y, et al. J Am Chem Soc. 2005 Mar 9;127(9):2818-9. doi: 10.1021/ja042754+. J Am Chem Soc. 2005. PMID: 15740094

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