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Results:
1-8
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Results: 8
Authors:
Halls, MD
Tripp, CP
Schlegel, HB
Citation: Md. Halls et al., Structure and infrared (IR) assignments for the OLED material: N,N '-diphenyl-N,N '-bis(1-naphthyl)-1,1 '-biphenyl-4,4 '-diamine (NPB), PHYS CHEM P, 3(11), 2001, pp. 2131-2136
Authors:
Halls, MD
Velkovski, J
Schlegel, HB
Citation: Md. Halls et al., Harmonic frequency scaling factors for Hartree-Fock, S-VWN, B-LYP, B3-LYP,B3-PW91 and MP2 with the Sadlej pVTZ electric property basis set, THEOR CH AC, 105(6), 2001, pp. 413-421
Authors:
Halls, MD
Schlegel, HB
Citation: Md. Halls et Hb. Schlegel, Molecular orbital study of the first excited state of the OLED material tris(8-hydroxyquinoline)aluminum(III), CHEM MATER, 13(8), 2001, pp. 2632-2640
Authors:
Halls, MD
Schlegel, HB
DeWitt, MJ
Drake, GWF
Citation: Md. Halls et al., Ab initio calculation of the a (3)Sigma(+)(u) interaction potential and vibrational levels of Li-7(2), CHEM P LETT, 339(5-6), 2001, pp. 427-432
Authors:
Aroca, RF
Clavijo, RE
Halls, MD
Schlegel, HB
Citation: Rf. Aroca et al., Surface-enhanced Raman spectra of phthalimide. Interpretation of the SERS spectra of the surface complex formed on silver islands and colloids, J PHYS CH A, 104(42), 2000, pp. 9500-9505
Authors:
Halls, MD
Schlegel, HB
Citation: Md. Halls et Hb. Schlegel, Comparison study of the prediction of Raman intensities using electronic structure methods, J CHEM PHYS, 111(19), 1999, pp. 8819-8824
Authors:
Halls, MD
Schlegel, HB
Citation: Md. Halls et Hb. Schlegel, Comparison of the performance of local, gradient-corrected, and hybrid density functional models in predicting infrared intensities, J CHEM PHYS, 109(24), 1998, pp. 10587-10593
Authors:
Halls, MD
Aroca, R
Citation: Md. Halls et R. Aroca, Vibrational spectra and structure of tris(8-hydroxyquinoline)aluminum(III), CAN J CHEM, 76(11), 1998, pp. 1730-1736
Risultati:
1-8
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