DNA nucleobase properties and photoreactivity: Modeling environmental effects (Q59464636)

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English	DNA nucleobase properties and photoreactivity: Modeling environmental effects	No description defined

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instance of

scholarly article

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title

DNA nucleobase properties and photoreactivity: Modeling environmental effects (English)

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Daniel Roca-Sanjuán

1

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Nicolas Ferré

object named as

Nicolas Ferré

series ordinal

6

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author name string

Gloria Olaso-González

series ordinal

2

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Mercedes Rubio

series ordinal

3

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Pedro B. Coto

series ordinal

4

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Manuela Merchán

series ordinal

5

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Valdemir Ludwig

series ordinal

7

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Luis Serrano-Andrés

series ordinal

8

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publication date

1 January 2009

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published in

Pure and Applied Chemistry

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volume

81

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issue

4

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page(s)

743-754

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cites work

Toward a computational photobiology

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Individual determination of the yield of the main UV-induced dimeric pyrimidine photoproducts in DNA suggests a high mutagenicity of CC photolesions.

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Thymine dimerization in DNA is an ultrafast photoreaction

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Nonadiabatic deactivation of 9H-adenine: a comprehensive picture based on mixed quantum-classical dynamics

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Uracil-DNA glycosylase acts by substrate autocatalysis

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Conical intersections in thymine

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Adenine and 2-aminopurine: paradigms of modern theoretical photochemistry

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Origin of the absorption maxima of the photoactive yellow protein resolved via ab initio multiconfigurational methods

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Radiationless decay mechanism of cytosine: an ab initio study with comparisons to the fluorescent analogue 5-methyl-2-pyrimidinone

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Solvent effects in emission spectroscopy: A Monte Carlo quantum mechanics study of the n←π* shift of formaldehyde in water

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Ultrafast Deactivation of an Excited Cytosine−Guanine Base Pair in DNA

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20 August 2023

https://opencitations.net/index/coci/api/v1/references/10.1351/PAC-CON-08-08-30

Computation of conical intersections by using perturbation techniques

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A Monte Carlo-quantum mechanics study of the solvatochromic shifts of the lowest transition of benzene

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Benchmarks for electronically excited states: CASPT2, CC2, CCSD, and CC3

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Geometry optimization with QM/MM, ONIOM, and other combined methods. I. Microiterations and constraints.

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2MOLCAS as a development platform for quantum chemistry software

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MOLCAS: a program package for computational chemistry

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Molecular basis of DNA photodimerization: intrinsic production of cyclobutane cytosine dimers.

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Ab initio study on deactivation pathways of excited 9H-guanine

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An efficient newton-like method for molecular mechanics energy minimization of large molecules

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Toward the understanding of DNA fluorescence: the singlet excimer of cytosine

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20 August 2023

https://opencitations.net/index/coci/api/v1/references/10.1351/PAC-CON-08-08-30

50 years thymine dimer

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20 August 2023

https://opencitations.net/index/coci/api/v1/references/10.1351/PAC-CON-08-08-30

Probing structure and dynamics of DNA with 2-aminopurine: effects of local environment on fluorescence

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20 August 2023

https://opencitations.net/index/coci/api/v1/references/10.1351/PAC-CON-08-08-30

Determination of the lowest-energy oxidation site in nucleotides: 2'-deoxythymidine 5'-monophosphate anion

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https://opencitations.net/index/coci/api/v1/references/10.1351/PAC-CON-08-08-30

Triplet-state formation along the ultrafast decay of excited singlet cytosine

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The guanine tautomer puzzle: quantum chemical investigation of ground and excited states

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Ab initio determination of the electron affinities of DNA and RNA nucleobases.

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Incorrect nucleotide insertion at the active site of a G:A mismatch catalyzed by DNA polymerase beta

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Ultrafast excited-state dynamics in nucleic acids

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Photoreactivity of furocoumarins and DNA in PUVA therapy: formation of psoralen-thymine adducts

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20 August 2023

https://opencitations.net/index/coci/api/v1/references/10.1351/PAC-CON-08-08-30

Relationship between the excited state relaxation paths of rhodopsin and isorhodopsin

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https://opencitations.net/index/coci/api/v1/references/10.1351/PAC-CON-08-08-30

A three-state model for the photophysics of adenine

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https://opencitations.net/index/coci/api/v1/references/10.1351/PAC-CON-08-08-30

Hybrid Models for Combined Quantum Mechanical and Molecular Mechanical Approaches

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https://opencitations.net/index/coci/api/v1/references/10.1351/PAC-CON-08-08-30

Determination of the electron-detachment energies of 2'-deoxyguanosine 5'-monophosphate anion: influence of the conformation.

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Computational study of thymine dimer radical anion splitting in the self-repair process of duplex DNA.

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The color of rhodopsins at the ab initio multiconfigurational perturbation theory resolution

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Theoretical studies of enzymic reactions: dielectric, electrostatic and steric stabilization of the carbonium ion in the reaction of lysozyme

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https://opencitations.net/index/coci/api/v1/references/10.1351/PAC-CON-08-08-30

Ab initio determination of the ionization potentials of DNA and RNA nucleobases

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https://opencitations.net/index/coci/api/v1/references/10.1351/PAC-CON-08-08-30

Theoretical insight into the intrinsic ultrafast formation of cyclobutane pyrimidine dimers in UV-irradiated DNA: thymine versus cytosine

1 reference

20 August 2023

https://opencitations.net/index/coci/api/v1/references/10.1351/PAC-CON-08-08-30

A three-state model for the photophysics of guanine

1 reference

20 August 2023

https://opencitations.net/index/coci/api/v1/references/10.1351/PAC-CON-08-08-30

What governs the charge transfer in DNA? The role of DNA conformation and environment.

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20 August 2023

https://opencitations.net/index/coci/api/v1/references/10.1351/PAC-CON-08-08-30

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10.1351/PAC-CON-08-08-30

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DNA nucleobase properties and photoreactivity: Modeling environmental effects (Q59464636)

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DNA nucleobase properties and photoreactivity: Modeling environmental effects (Q59464636)

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