Nucleic acidparameters are developed for the all-atomempirical energy function used in the
CHARMM program. The parameters were determined by use of results for model …

The surface-enhanced Raman spectra (SERS) of adenine and three deuterated analogues
adsorbed on colloids, electrochemically roughened electrodes, and vacuum deposited …

Heterocycles containing one or more amidine moieties {–NH–C (R) N–} such as adenine
and its building blocks, imidazole, 4-aminopyrimidine, and purine, are excellent examples of …

High level quantum chemistry calculations have been applied in order to explore the
intramolecular proton transfer process in the tautomers of adenine. The presence of …

Many DNA-based technologies involve the immobilization of DNA and therefore require a
fundamental understanding of the DNA structure–function relationship at interfaces. We …

An experimental method is described for a vibrational spectroscopic study of the H-bonding
properties of cytosines and isocytosines in low-temperature inert matrices. The method …

A combination of ultrafast transient electronic absorption spectroscopy (TEAS) and transient
vibrational absorption spectroscopy (TVAS) is used to investigate whether photoinduced N …

High resolution spectra of guanine, hypoxanthine, isocytosine, 2-aminopyrimidine and their
deutero-and methyl derivatives obtained in Ar matrices by the low temperature IR …

The results of an ab initio post-Hartree− Fock study of the protonation of all nucleic acid
bases are reported. Rare tautomers of guanine and cytosine, which coexist in the gas phase …

The vibrational spectra of the nucleic acid bases adenine, thymine, guanine, and cytosine
are calculated in the frame of density functional theory (DFT). In particular we use the Kohn …