Wann DA - Search Results

1

Molecular structure and vibrational spectra of iodotrimethylgermane (GeIMe3) by theory and experiment.

Roldán ML, Brandán SA, Masters SL, Wann DA, Robertson HE, Rankin DW, Ben Altabef A. Roldán ML, et al. Among authors: wann da. J Phys Chem A. 2007 Aug 2;111(30):7200-10. doi: 10.1021/jp072111r. Epub 2007 Jul 12. J Phys Chem A. 2007. PMID: 17628053

2

Gas-phase structure, rotational barrier, and vibrational properties of methyl methanethiosulfonate, CH3SO2SCH3: an experimental and computational study.

Tuttolomondo ME, Navarro A, Ruiz TP, Varetti EL, Hayes SA, Wann DA, Robertson HE, Rankin DW, Altabef AB. Tuttolomondo ME, et al. Among authors: wann da. J Phys Chem A. 2007 Oct 4;111(39):9952-60. doi: 10.1021/jp073611n. Epub 2007 Aug 31. J Phys Chem A. 2007. PMID: 17760430

3

Combined experimental studies and theoretical calculations to yield the complete molecular structure and vibrational spectra of (CH3)3GeH.

Roldán ML, Brandán SA, Masters Née Hinchley SL, Wann DA, Robertson HE, Rankin DW, Altabef AB. Roldán ML, et al. Among authors: wann da. J Phys Chem A. 2009 Apr 30;113(17):5195-204. doi: 10.1021/jp810988s. J Phys Chem A. 2009. PMID: 19298067

4

A conformational and vibrational study of CF(3)COSCH(2)CH(3).

Lestard ME, Tuttolomondo ME, Wann DA, Robertson HE, Rankin DW, Ben Altabef A. Lestard ME, et al. Among authors: wann da. J Chem Phys. 2009 Dec 7;131(21):214303. doi: 10.1063/1.3267633. J Chem Phys. 2009. PMID: 19968344

5

Conformations, structures, and vibrational spectra of triethylchloro- and triethylbromosilane using theoretical methods, gas phase electron diffraction, and IR and Raman spectroscopy.

Montejo M, Wann DA, Ureña FP, Márquez F, Rankin DW, López González JJ. Montejo M, et al. Among authors: wann da. J Phys Chem A. 2007 Apr 19;111(15):2870-8. doi: 10.1021/jp0666481. Epub 2007 Mar 28. J Phys Chem A. 2007. PMID: 17388573

6

Additivity of ring distortions in halogen-substituted aromatics: a gas-phase electron diffraction and computational study.

Wann DA, Masters SL, Robertson HE, Rankin DW. Wann DA, et al. J Phys Chem A. 2007 Aug 16;111(32):7882-7. doi: 10.1021/jp073581o. Epub 2007 Jul 21. J Phys Chem A. 2007. PMID: 17658773

7

Experimental equilibrium structures: application of molecular dynamics simulations to vibrational corrections for gas electron diffraction.

Wann DA, Zakharov AV, Reilly AM, McCaffrey PD, Rankin DW. Wann DA, et al. J Phys Chem A. 2009 Aug 27;113(34):9511-20. doi: 10.1021/jp904185g. Epub 2009 Jul 31. J Phys Chem A. 2009. PMID: 19645487

8

Primary phosphines studied by gas-phase electron diffraction and quantum chemical calculations. Are they different from amines?

Noble-Eddy R, Masters SL, Rankin DW, Wann DA, Robertson HE, Khater B, Guillemin JC. Noble-Eddy R, et al. Among authors: wann da. Inorg Chem. 2009 Sep 7;48(17):8603-12. doi: 10.1021/ic901018s. Inorg Chem. 2009. PMID: 19663455

9

Low symmetry in molecules with heavy peripheral atoms. The gas-phase structure of perfluoro(methylcyclohexane), C6F11CF3.

Kafka GR, Masters SL, Wann DA, Robertson HE, Rankin DW. Kafka GR, et al. Among authors: wann da. J Phys Chem A. 2010 Oct 21;114(41):11022-6. doi: 10.1021/jp1077517. J Phys Chem A. 2010. PMID: 20873860

10

The phonon spectrum of phase-I ammonia: reassignment of lattice mode symmetries from combined molecular and lattice dynamics calculations.

Reilly AM, Middlemiss DS, Siddick MM, Wann DA, Ackland GJ, Wilson CC, Rankin DW, Morrison CA. Reilly AM, et al. Among authors: wann da. J Phys Chem A. 2008 Feb 14;112(6):1322-9. doi: 10.1021/jp0757053. Epub 2008 Jan 19. J Phys Chem A. 2008. PMID: 18205336

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