Now showing items 1-10 of 52
Vibrational analysis of crystalline diketopiperazine--II. Normal mode calculations
(Elsevier, 1984)
Based on our Raman and i.r. [1] data and assignments for DKP and five of its isotopic derivatives, we have refined an intramolecular force field in a non-redundant basis. This analysis shows that the cis peptide group may ...
Thermophysics of metal alkanoates IV. Heat capacities and thermodynamic properties of potassium 2-methylpropanoate
(Elsevier, 1984-02)
The molar heat capacity of potassium 2-methylpropanoate, (CH3)2CHCO2K, has been measured between 8 and 350 K by adiabatic calorimetry, and found to be normal. The corresponding thermodynamic functions have been calculated. ...
Effect of gravity on Brownian flocculation
(Elsevier, 1984-09)
In previous analyses of simultaneous Brownian and gravity-induced flocculation, it has been assumed that each mechanism contributes independently to the total flocculation rate. In this paper the rigorous problem of coupled ...
Transition dipole interaction in polypeptides: Ab initio calculation of transition dipole parameters
(Elsevier, 1984-06-15)
Ab initio calculations of dipole moment derivatives of a model system of N-methylacetamide hydrogen-bonded to two formamide molecules give values for amide I and amide II transition dipole moments consistent with those ...
Two-particle continuous-time random walks and binary reactions in disordered media
(Elsevier, 1984-02-10)
The relation between unary-(trappihg) and binary (mutual annihilation) reactions in disordered systems is studied in the framework of the continuous-time random walk. It is found that if the waiting-time distribution of ...
An investigation of Prussian Blue analogues by Mossbauer spectroscopy and magnetic susceptibility
(Elsevier, 1984)
The Mossbauer spectra and magnetic susceptibilities have been obtained for a series of Prussian Blue analogues of general formula MjA[MB(CN)6]k[middle dot]mH2O where MA and MB are transition metal ions, j and k vary with ...
Vibrational analysis of peptides, polypeptides, and proteins. XVIII. Conformational sensitivity of the Α-helix spectrum: Α I - and Α II -Poly( L -alanine)
(Wiley Subscription Services, Inc., A Wiley Company, 1984-05)
The Α II -helix (φ = −70.47°, Ψ = −35.75°) is a structure having the same n and h as the (standard) Α I -helix (φ = −57.37°, Ψ = −47.49°). Its conformational angles are commonly found in proteins. Using an improved ...
Thermophysics of metal alkanoates III. Heat capacities and thermodynamic properties of lithium and potassium propanoates
(Elsevier, 1984-01)
At 298.15 K, the values of Cp, m/R, Smo/R, {Hmo - Hmo(0)}/R, and {Gmo - Hmo(0)}/RT ar 15.58, 17.13, 2588.6 K, and -8.445 for CH3CH2CO2Li(cr), and 17.30, 21.16, 3134.0 K, and -10.647 for CH3CH2CO2K(cr). The energetics and ...
Electron diffraction analysis of charge redistribution model and structure of SeF6
(Elsevier, 1984-08)
The bond length of the octahedral molecule SeF6 was found to be rg(3[sigma]) = 1.685(2) A. Mean amplitudes of vibration, measured by diffraction, were within the experimental error of those calculated from spectral data ...
On Green's functions, propagators, and sturmians for the nonrelativistic coulomb problem
(John Wiley & Sons, Inc., 1984-03-01)
Recent progress in the mathematical physics and quantum chemistry of Coulomb Green's functions is summarized. Analogy with the defining relation for the Green's function has led to a finite model for the Fermi contact ...