A Theoretical Study of Excited State Properties of Adenine−Thymine and Guanine−Cytosine Base Pairs

2002 ◽  
Vol 106 (18) ◽  
pp. 4709-4717 ◽  
Author(s):  
M. K. Shukla ◽  
Jerzy Leszczynski
Keyword(s):  
Excited State ◽  
Theoretical Study ◽  
Base Pairs ◽  
Adenine Thymine

scholarly journals A theoretical study of methylation and CH/π interactions in DNA intercalation: methylated 1,10-phenanthroline in adenine–thymine base pairs

RSC Advances ◽  
2016 ◽  
Vol 6 (89) ◽  
pp. 85891-85902 ◽  
Author(s):  
A. Gil ◽  
V. Branchadell ◽  
M. J. Calhorda
Keyword(s):  
Theoretical Study ◽  
Dna Intercalation ◽  
Base Pairs ◽  
Π Interactions ◽  
Adenine Thymine

This work shows that quality is better that quantity to estabilize the intercalation of methylated phen.

scholarly journals Solvent effects on the excited state characteristics of adenine–thymine base pairs

RSC Advances ◽  
2017 ◽  
Vol 7 (53) ◽  
pp. 33426-33440 ◽  
Author(s):  
S. Saha ◽  
H. M. Quiney
Keyword(s):  
Excited State ◽  
Solvent Effects ◽  
Base Pair ◽  
Base Pairs ◽  
Systematic Analysis ◽  
Dna Base ◽  
Dna Base Pair ◽  
Adenine Thymine ◽  
Hydrogen Bonded

A systematic analysis of the excited state characteristics of the DNA base pair adenine–thymine in stacked and Watson–Crick hydrogen bonded configurations has been carried out in this study.

Influence of solvent polarity on the dual fluorescence of p-N,N-dimethylaminobenzonitrile: An AM1 theoretical study

1990 ◽  
Vol 55 (8) ◽  
pp. 1891-1895 ◽  
Author(s):  
Peter Ertl
Keyword(s):  
Excited State ◽  
Theoretical Study ◽  
Solvent Polarity ◽  
Semiempirical Method ◽  
Dual Fluorescence ◽  
Long Wavelength ◽  
Polar Media ◽  
Wavelength Emission ◽  
Ground State Geometry ◽  
Influence Of Solvent

Twisting of the NMe2 group in p-N,N-dimethylaminobenzonitrile (DMABN) was investigated using AM1 semiempirical method with configuration interaction. Effect of polar media was considered by placing + and - charge centers ("sparkles") at appropriate places opposite the molecule. Optimized ground state geometry of DMABN is slightly twisted with the lowest vertical excited state of 1B character. As the polarity of media increases and/or the - NMe2 group twists, the symmetric 1A excited state having considerable charge separation becomes energetically favorable. Anomalous long-wavelength emission of DMABN comes from this state.

scholarly journals UV-induced hydrogen transfer in DNA base pairs promoted by dark nπ* states

2020 ◽  
Vol 56 (2) ◽  
pp. 201-204 ◽  
Author(s):  
Kinga E. Szkaradek ◽  
Petr Stadlbauer ◽  
Jiří Šponer ◽  
Robert W. Góra ◽  
Rafał Szabla
Keyword(s):  
Excited State ◽  
Hydrogen Transfer ◽  
Base Pairs ◽  
Dna Base ◽  
Dna Base Pairs

Formation of an excited-state complex enables ultrafast photorelaxation of dark nπ* states in GC and HC base pairs.

The Way of Obtain C3H4O+ Fragments Laser-Induced by Cycloheptanone Ion Excited State

2014 ◽  
Vol 887-888 ◽  
pp. 931-934
Author(s):  
Hong Bin Chen ◽  
Ying Zhu ◽  
Jie Wu
Keyword(s):  
Excited State ◽  
Configuration Interaction ◽  
Theoretical Study ◽  
Vibrational Frequencies ◽  
State Structure ◽  
The Way

Our theoretical study aims to the way of obtain C3H4O+ fragments laser-induced by Cycloheptanone ion (C7H12O+ ) excited state and gives out a result with proved and directed significance for the corresponding experiments. Using the CIS（Configuration Interaction with Single Substitute） method, calculated Cycloheptanone ion excited state structure and vibrational frequencies.

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