Photoinitiated predissociation of the NO dimer in the region of the second and third NO stretch overtones

Article Abstract:

Photofragment yield spectra and NO(X{super 2} pi{sub 1/2, 3/2}; nu = 1, 2, 3) product vibrational, rotational, and spin-orbit state distributions were measured following NO dimer excitation in the 4000-7000 cm(super -1) region in a molecular beam. Photofragment yield spectra were obtained by monitoring NO(X{super 2} pi; nu = 1, 2, 3) dissociation products via resonance enhanced multiphoton ionization.

Science & research, Research, Ionization, Phonons

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The anharmonic vibrational potential and relaxation pathways of the amide I and II modes of N-methylacetamide

Article Abstract:

The influence of isotopic substitution and salvation of N-methylacetamide (NMA) on anharmonic vibrational coupling and vibrational relaxation of the amide I and amide II modes is investigated. It is shown that the origin of anharmonic variation arises from the differing local mode contributions to the normal modes of the NMA isotopologues, particularly in amide II.

Amides

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Accurate description of nitrogenous base flexibility in classical molecular dynamics simulations of nucleotides bound to proteins

Article Abstract:

An alternative set of torsional parameters of pyrimidinic bases to be used in conjunction with the AMBER force field which could provide an accurate representation of the flexibility of the nitrogenous base is nucleotides is presented.

Analysis, Molecular dynamics, Pyrimidines

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