Authors: RUIZMORALES Y ZIEGLER T

Citation: Y. Ruizmorales et T. Ziegler, A THEORETICAL-STUDY OF P-31 AND MO-95 NMR CHEMICAL-SHIFTS IN M(CO)(5)PR3 (M = CR, MO R = H, CH3, C6H5, F, AND CL) BASED ON DENSITY-FUNCTIONAL THEORY AND GAUGE-INCLUDING ATOMIC ORBITALS, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(22), 1998, pp. 3970-3976

Authors: RUIZMORALES Y SCHRECKENBACH G ZIEGLER T

Citation: Y. Ruizmorales et al., CALCULATION OF TE-125 CHEMICAL-SHIFTS USING GAUGE-INCLUDING ATOMIC ORBITALS AND DENSITY-FUNCTIONAL THEORY, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(22), 1997, pp. 4121-4127

Authors: EHLERS AW RUIZMORALES Y BAERENDS EJ ZIEGLER T

Citation: Aw. Ehlers et al., DISSOCIATION-ENERGIES, VIBRATIONAL FREQUENCIES, AND C-13 NMR CHEMICAL-SHIFTS OF THE 18-ELECTRON SPECIES [M(CO)(6)](N) (M = HF-IR, MO, TC, RU, CR, MN, FE) - A DENSITY-FUNCTIONAL STUDY, Inorganic chemistry, 36(22), 1997, pp. 5031-5036

Authors: RUIZMORALES Y SCHRECKENBACH G ZIEGLER T

Citation: Y. Ruizmorales et al., ORIGIN OF THE HYDRIDIC H-1-NMR CHEMICAL-SHIFT IN LOW-VALENT TRANSITION-METAL HYDRIDES, Organometallics, 15(19), 1996, pp. 3920-3923

Authors: RUIZMORALES Y SCHRECKENBACH G ZIEGLER T

Citation: Y. Ruizmorales et al., THEORETICAL-STUDY OF C-13 AND O-17 NMR SHIELDING TENSORS IN TRANSITION-METAL CARBONYLS BASED ON DENSITY-FUNCTIONAL THEORY AND GAUGE-INCLUDING ATOMIC ORBITALS, Journal of physical chemistry, 100(9), 1996, pp. 3359-3367

Authors: SCHRECKENBACH G RUIZMORALES Y ZIEGLER T

Citation: G. Schreckenbach et al., THE CALCULATION OF SE-77 CHEMICAL-SHIFTS USING GAUGE INCLUDING ATOMICORBITALS AND DENSITY-FUNCTIONAL THEORY, The Journal of chemical physics, 104(21), 1996, pp. 8605-8612