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356 related items for PubMed ID: 16220964
1. 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, Thaddeus P. J Am Chem Soc; 2003 Sep 17; 125(37):11409-17. PubMed ID: 16220964 [Abstract] [Full Text] [Related]
2. Monobridged Si2H4. McCarthy MC, Yu Z, Sari L, Schaefer HF, Thaddeus P. J Chem Phys; 2006 Feb 21; 124(7):74303. PubMed ID: 16497032 [Abstract] [Full Text] [Related]
3. 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 14; 125(10):104306. PubMed ID: 16999525 [Abstract] [Full Text] [Related]
4. Ab initio molecular-orbital study of structures and energetics of Si3H3 neutral and anion. Saitoh T, Naoe T, Ikuta S. J Chem Phys; 2005 May 22; 122(20):204314. PubMed ID: 15945731 [Abstract] [Full Text] [Related]
5. Characterization of the X2A1, A2B1, and X2Pi electronic states of the Ga2H molecule and the X2A' and A 2A" isomerization transition states connecting the three minima. Wang H, Wang S, Yan G, Yamaguchi Y, Schaefer HF. J Chem Phys; 2006 Jan 28; 124(4):044309. PubMed ID: 16460164 [Abstract] [Full Text] [Related]
6. Theoretical study on isomeric stabilities of C2H2Si and its ionization potentials and electron affinities. Ikuta S, Saitoh T, Wakamatsu S. J Chem Phys; 2004 Aug 22; 121(8):3478-85. PubMed ID: 15303912 [Abstract] [Full Text] [Related]
11. Structures and energetics of H(6)(+) clusters. Hao Q, Simmonett AC, Yamaguchi Y, Fang DC, Schaefer HF. J Phys Chem A; 2009 Dec 03; 113(48):13608-20. PubMed ID: 19852448 [Abstract] [Full Text] [Related]
12. Characterization of the HSiN_HNSi system in its electronic ground state. Lind MC, Pickard FC, Ingels JB, Paul A, Yamaguchi Y, Schaefer HF. J Chem Phys; 2009 Mar 14; 130(10):104301. PubMed ID: 19292528 [Abstract] [Full Text] [Related]
17. Are isomers of the vinyl cyanide ion missing links for interstellar pyrimidine formation? Bera PP, Lee TJ, Schaefer HF. J Chem Phys; 2009 Aug 21; 131(7):074303. PubMed ID: 19708743 [Abstract] [Full Text] [Related]
18. Application of equation-of-motion coupled-cluster methods to low-lying singlet and triplet electronic states of HBO and BOH. DeYonker NJ, Li S, Yamaguchi Y, Schaefer HF, Crawford TD, King RA, Peterson KA. J Chem Phys; 2005 Jun 15; 122(23):234316. PubMed ID: 16008450 [Abstract] [Full Text] [Related]