Yamaguchi Y - Search Results

1

Low-lying electronic states of FeNC and FeCN: a theoretical journey into isomerization and quartet/sextet competition.

DeYonker NJ, Yamaguchi Y, Allen WD, Pak C, Schaefer HF 3rd, Peterson KA. DeYonker NJ, et al. Among authors: yamaguchi y. J Chem Phys. 2004 Mar 8;120(10):4726-41. doi: 10.1063/1.1636719. J Chem Phys. 2004. PMID: 15267333

2

The low-lying electronic excited states of NiCO.

Horny L, Paul A, Yamaguchi Y, Schaefer HF. Horny L, et al. Among authors: yamaguchi y. J Chem Phys. 2004 Jul 15;121(3):1412-8. doi: 10.1063/1.1760073. J Chem Phys. 2004. PMID: 15260686

3

The diazocarbene (CNN) molecule: characterization of the X 3Sigma- and A 3Pi electronic states.

Yamaguchi Y, Schaefer HF 3rd. Yamaguchi Y, et al. J Chem Phys. 2004 May 22;120(20):9536-46. doi: 10.1063/1.1707014. J Chem Phys. 2004. PMID: 15267965

4

The singlet electronic ground state isomers of dialuminum monoxide: AlOAl, AlAlO, and the transition state connecting them.

Turney JM, Sari L, Yamaguchi Y, Schaefer HF 3rd. Turney JM, et al. Among authors: yamaguchi y. J Chem Phys. 2005 Mar 1;122(9):094304. doi: 10.1063/1.1850098. J Chem Phys. 2005. PMID: 15836125

5

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. DeYonker NJ, et al. Among authors: yamaguchi y. J Chem Phys. 2005 Jun 15;122(23):234316. doi: 10.1063/1.1927078. J Chem Phys. 2005. PMID: 16008450

6

The ground and two lowest-lying singlet excited electronic states of copper hydroxide (CuOH).

Wang S, Paul A, DeYonker NJ, Yamaguchi Y, Schaefer HF. Wang S, et al. Among authors: yamaguchi y. J Chem Phys. 2005 Jul 1;123(1):014313. doi: 10.1063/1.1944726. J Chem Phys. 2005. PMID: 16035841

7

The low-lying electronic states of nickel cyanide and isocyanide: A theoretical investigation.

Paul A, Yamaguchi Y, Schaefer HF 3rd, Peterson KA. Paul A, et al. Among authors: yamaguchi y. J Chem Phys. 2006 Jan 21;124(3):034310. doi: 10.1063/1.2137324. J Chem Phys. 2006. PMID: 16438586

8

Protonated carbonyl sulfide: prospects for the spectroscopic observation of the elusive HSCO+ isomer.

Wheeler SE, Yamaguchi Y, Schaefer HF 3rd. Wheeler SE, et al. Among authors: yamaguchi y. J Chem Phys. 2006 Jan 28;124(4):044322. doi: 10.1063/1.2150819. J Chem Phys. 2006. PMID: 16460177

9

Characterization of singlet ground and low-lying electronic excited states of phosphaethyne and isophosphaethyne.

Ingels JB, Turney JM, Richardson NA, Yamaguchi Y, Schaefer HF 3rd. Ingels JB, et al. Among authors: yamaguchi y. J Chem Phys. 2006 Sep 14;125(10):104306. doi: 10.1063/1.2222356. J Chem Phys. 2006. PMID: 16999525

10

Coupled cluster investigation on the low-lying electronic states of CuCN and CuNC and the ground state barrier to isomerization.

Paul A, Yamaguchi Y, Schaefer HF 3rd. Paul A, et al. Among authors: yamaguchi y. J Chem Phys. 2007 Oct 21;127(15):154324. doi: 10.1063/1.2784393. J Chem Phys. 2007. PMID: 17949166

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