Journal ArticleDOI
Matrix isolation studies of nucleic acid constituents. i. infrared spectra of uracil monomers
M. Szczesniak,Maciej J. Nowak,Hanna Rostkowska,Krystyna Szczepaniak,Willis B. Person,David Shugar +5 more
Reads0
Chats0
TLDR
In this article, the authors proposed a method to solve the problem of energy minimization in the field of particle physics, using an energy minimisation algorithm based on the concept of energy maximization.Abstract:
Author Institution: Institute of Physics, Polish Academy of Sciences; Department of Chemistry, University of Floridaread more
Citations
More filters
Journal ArticleDOI
Medium-frequency Raman spectra of crystalline uracil, thymine and their 1-methyl derivatives
TL;DR: In this article, a series of Raman spectra of the crystalline uracil, thymine and their 1-methyl derivatives was presented in the region 200 − 1800 cm−1.
Journal ArticleDOI
Comparison of ab initio HF/6-31G∗∗, HF/6-31 + + G∗∗ and MP2/6-31G∗∗ calculated infrared spectra of 4(3H)-pyrimidinone and 4-hydroxypyrimidine with matrix isolation spectra
TL;DR: In this paper, the results of ab initio calculations of infrared (IR) spectra of 4-hydroxypyrimidine and 4(3H)-pyrimidinone are reported.
Journal ArticleDOI
Calculation of the vibrational spectra of cytosine derivatives by the CNDO/2 force method: Part II. Planar vibrations of 5-fluorocytosine
TL;DR: In this paper, the CNDO/2 method with Pulay's empirical correction has been used to calculate the harmonic force constants for 5-fluorocytosine in the amino-enol tautomeric form.
Journal ArticleDOI
FTIR and Raman spectra and fundamental frequencies of 5-halosubstituted uracils: 5-X-uracil (X = F, Cl, Br and I)
TL;DR: FTIR and Raman spectra of 5-halosubstituted uracils (5-X-uracil; X=F, Cl, Br and I) were recorded in the region 200-4000cm(-1) and the ring breathing and kekule stretching modes are observed in lower magnitudes compared to those of uracil.
Journal ArticleDOI
Normal mode analysis of the vibrational spectrum of tropolone - A molecule with seven-membered ring
TL;DR: In this paper, the authors compared the IR spectrum of tropolone (2-hydroxy-2,4,6-cycloheptatriene-1-one) isolated in Ar and N2 matrices with the spectra theoretically calculated at the DFT (density functional theory) levels.
Related Papers (5)
Vibrational spectra of nucleic acid constituents—II: Planar vibrations of cytosine
H. Susi,J.S. Ard,J.M. Purcell +2 more