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Results: 1-7 |
Results: 7
A DENSITY-FUNCTIONAL, INFRARED LINEAR DICHROISM, AND NORMAL-COORDINATE STUDY OF PHENOL AND ITS DEUTERATED DERIVATIVES - REVISED INTERPRETATION OF THE VIBRATIONAL-SPECTRA
Authors: KERESZTURY G BILLES F KUBINYI M SUNDIUS T
Citation: G. Keresztury et al., A DENSITY-FUNCTIONAL, INFRARED LINEAR DICHROISM, AND NORMAL-COORDINATE STUDY OF PHENOL AND ITS DEUTERATED DERIVATIVES - REVISED INTERPRETATION OF THE VIBRATIONAL-SPECTRA, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(8), 1998, pp. 1371-1380
A COMPARATIVE-STUDY ON THE VIBRATIONAL SPECTROSCOPY OF PYRIDAZINE, PYRIMIDINE AND PYRAZINE
Authors: BILLES F MIKOSCH H HOLLY S
Citation: F. Billes et al., A COMPARATIVE-STUDY ON THE VIBRATIONAL SPECTROSCOPY OF PYRIDAZINE, PYRIMIDINE AND PYRAZINE, Journal of molecular structure. Theochem, 423(3), 1998, pp. 225-234
VIBRATIONAL-SPECTRA AND HARMONIC FORCE-FIELDS OF PYRROLIDINE DERIVATIVES - COMPARISON BETWEEN HF, MP2 AND DFT FORCE-FIELDS
Authors: BILLES F GEIDEL E
Citation: F. Billes et E. Geidel, VIBRATIONAL-SPECTRA AND HARMONIC FORCE-FIELDS OF PYRROLIDINE DERIVATIVES - COMPARISON BETWEEN HF, MP2 AND DFT FORCE-FIELDS, SPECT ACT A, 53(14), 1997, pp. 2537-2551
AB-INITIO MODELING OF THE MASS SPECTROSCOPIC FRAGMENTATION OF PYRIDAZINE
Authors: BILLES F KLOSTERMANN K
Citation: F. Billes et K. Klostermann, AB-INITIO MODELING OF THE MASS SPECTROSCOPIC FRAGMENTATION OF PYRIDAZINE, ACH, models in chemistry, 134(2-3), 1997, pp. 199-217
A SYSTEMATIC STUDY ON THE BASIS-SET DEPENDENCE OF THE HARTREE-FOCK, MP2 AND CIS HARMONIC FORCE-FIELDS AND VIBRATIONAL FREQUENCIES OF FORMALDEHYDE IN COMPARISON WITH THE EXPERIMENTAL RESULTS
Authors: BILLES F
Citation: F. Billes, A SYSTEMATIC STUDY ON THE BASIS-SET DEPENDENCE OF THE HARTREE-FOCK, MP2 AND CIS HARMONIC FORCE-FIELDS AND VIBRATIONAL FREQUENCIES OF FORMALDEHYDE IN COMPARISON WITH THE EXPERIMENTAL RESULTS, Journal of molecular structure. Theochem, 339, 1995, pp. 15-24
CALCULATION OF MOLECULAR VIBRATIONS WITH THE INCLUSION OF THE ELECTRONIC CORRELATION-ENERGY - EXAMPLE - PYRIDAZINE
Authors: BILLES F MIKOSCH H
Citation: F. Billes et H. Mikosch, CALCULATION OF MOLECULAR VIBRATIONS WITH THE INCLUSION OF THE ELECTRONIC CORRELATION-ENERGY - EXAMPLE - PYRIDAZINE, Journal of molecular structure, 349, 1995, pp. 409-412
MEASUREMENT AND CALCULATION OF VIBRATIONAL-SPECTRA OF PYRAZINE SOLUTIONS IN LARGE ACIDITY REGION
Authors: BILLES F MIKOSCH H
Citation: F. Billes et H. Mikosch, MEASUREMENT AND CALCULATION OF VIBRATIONAL-SPECTRA OF PYRAZINE SOLUTIONS IN LARGE ACIDITY REGION, Acta chimica Hungarica, 130(6), 1993, pp. 901-914
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