Coherent two-dimensional optical spectroscopy

M Cho - Chemical reviews, 2008 - ACS Publications
Two-dimensional (2D) optical spectroscopy utilizing multiple ultrafast coherent laser pulses
in the infrared or UV-vis frequency range has been used to study protein structure and …

Strong dimerization of ureidopyrimidones via quadruple hydrogen bonding

FH Beijer, RP Sijbesma, H Kooijman… - Journal of the …, 1998 - ACS Publications
6-Methyl-2-butylureidopyrimidone dimerizes via four hydrogen bonds in the solid state as
well as in CHCl3 solution via a donor− donor− acceptor− acceptor (DDAA) array of …

The tautomerism of heterocycles: substituent tautomerism of six-membered ring heterocycles

B Stanovnik, M Tišler, AR Katritzky… - Advances in Heterocyclic …, 2006 - Elsevier
Publisher Summary This chapter reviews the substituent tautomerism of six-membered
heterocycles that has appeared since 1976. The most significant development since 1976 is …

pKa Values of Guanine in Water:  Density Functional Theory Calculations Combined with Poisson−Boltzmann Continuum−Solvation Model

YH Jang, WA Goddard, KT Noyes… - The Journal of …, 2003 - ACS Publications
It has long been postulated that rare tautomeric or ionized forms of DNA bases may play a
role in mispair formation. To investigate the role this phenomenon plays in the mispairing of …

Matrix isolation infrared studies of nucleic acid constituents. 5. Experimental matrix-isolation and theoretical ab initio SCF molecular orbital studies of the infrared …

M Szczesniak, K Szczepaniak… - Journal of the …, 1988 - ACS Publications
Results are presented from an experimental study of the infrared spectra of cytosine and its
deuteriated derivatives isolated in an inert Ar matrix and also in an N2 matrix deposited on a …

Tautomerism of the DNA base guanine and its methylated derivatives as studied by gas-phase infrared and ultraviolet spectroscopy

M Mons, I Dimicoli, F Piuzzi, B Tardivel… - The Journal of …, 2002 - ACS Publications
The present IR− UV depletion spectroscopic study extends the recent data of literature by
providing evidence for the existence of a fourth form of guanine in the gas phase. The …

Four tautomers of isolated guanine from infrared laser spectroscopy in helium nanodroplets

MY Choi, RE Miller - Journal of the American Chemical Society, 2006 - ACS Publications
Infrared laser spectroscopy is used to study the four lowest energy tautomers of guanine,
isolated in helium nanodroplets. The large number of vibrational bands observed in the …

Theoretical and experimental study of isoguanine and isocytosine: base pairing in an expanded genetic system

C Roberts, R Bandaru, C Switzer - Journal of the American …, 1997 - ACS Publications
The stabilities of all possible purine/pyrimidine pairings between the isomeric nucleobases
isocytosine (iso-C) and isoguanine (iso-G) and standard genomic bases are reported for two …

Calculations and Characterization of the Electronic Spectra of DNA Bases Based on ab Initio MP2 Geometries of Different Tautomeric Forms

A Broo, A Holmén - The Journal of Physical Chemistry A, 1997 - ACS Publications
The absorption spectra and transition moment directions of the four DNA bases and uracil
were calculated, utilizing the semiempirical INDO/S-CI method and the ab initio CIS/6-31G …

Vibrational spectra of nucleic acid bases and their Watson–Crick pair complexes

R Santamaria, E Charro, A Zacarias… - Journal of …, 1999 - Wiley Online Library
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 …