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Integrated infra-red intensities: Relation to other molecular constants and a simple isotopic sum rule

Autor: N. Mohan, A.J.P. Alix, Achim Müller

Publikováno v: Molecular Physics. 33:319-329

Some new relations connecting the infra-red intensities to other molecular constants, such as Coriolis constants, mean square amplitudes etc., are reported. All these relations have been derived using the new matrix formulation reported recently. The

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::f277dfb2980ba00b009e00efc29e00f3
https://doi.org/10.1080/00268977700100271

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On the definition of the total energy distribution method for the assignment of normal modes of vibration

Autor: A.J.P. Alix, Achim Müller

Publikováno v: Journal of Molecular Structure. 24:229-236

Exact and approximate expressions for the different distributions of several molecular parameters as force constants and symmetry coordinates to the total vibrational energy (E = T+V) are given in detail as well as the relations to the usual PED and

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::ca32f4c9e2414d59b42eabdd741905b2
https://doi.org/10.1016/0022-2860(75)87001-3

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Approximation methods for the calculation of force constants of a general valence force field in polyatomic molecules - a review

Autor: H.H. Eysel, N. Mohan, B. Jordanov, A.J.P. Alix, R. Kebabcioglu, Achim Müller

Publikováno v: Journal of Molecular Structure. 27:1-23

The purpose of this review is to make a survey of the various approximation methods for the calculation of force constants in polyatomic molecules using a general valence force field model. These are the solutions for a molecule satisfying at least t

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::b4f82cdb5d945a5d399e6654716c7472
https://doi.org/10.1016/0022-2860(75)85117-9

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Characterization and conformational analysis by Raman spectroscopy of human airway lysozyme

Autor: E. Puchelle, J. Marx, M. Berjot, J. Jacquot, A.J.P. Alix

Publikováno v: Biochimica et Biophysica Acta (BBA) - Protein Structure and Molecular Enzymology. 870:488-494

Human airway lysozyme, purified from pathological bronchial secretions, is characterized by a specific activity 3-fold higher than that of hen egg-white lysozyme. The amino acid composition of human airway lysozyme is identical to that of other human

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b1cc57c52fcba317b9ad952fc9649c12
https://doi.org/10.1016/0167-4838(86)90257-8

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On some aspects of the first‐order centrifugal distortion constants in polyatomic molecules

Autor: Achim Müller, N. Mohan, A.J.P. Alix

Publikováno v: The Journal of Chemical Physics. 59:6112-6118

A detailed study of the extremal properties and the signs of the first‐order centrifugal distortion constants is reported. It is shown unambignously that the signs of tαααα (α = x, y, or z) and tαβαβ (α and β in cyclic order correspond t

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::a6c2608f9c56b4eae3974dbd67c5cad5
https://doi.org/10.1063/1.1679978

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On the Green's Function Approach and the Parametric Study of Force Constants

Autor: N. Mohan, A.J.P. Alix, Achim Müller

Publikováno v: Zeitschrift für Naturforschung A. 28:1158-1162

A detailed study of the Green's function analysis of the vibrations of substituted and perturbed molecules is made. The similarity in approach of this procedure with the parametric study of force constants is pointed out. The significance of the sign

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::d694b85bfc99d1f0c2dbe81024b459cd
https://doi.org/10.1515/zna-1973-0721

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