Found: 23
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The role of pyrimidine nucleobase excimers in DNA photophysics and photoreactivity.
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- Pure & Applied Chemistry, 2009, v. 81, n. 9, p. 1695, doi. 10.1351/PAC-CON-08-08-31
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- Article
DNA nucleobase properties and photoreactivity: Modeling environmental effects.
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- Pure & Applied Chemistry, 2009, v. 81, n. 4, p. 743, doi. 10.1351/PAC-CON-08-08-30
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- Article
Design of carborane molecular architectures with electronic structure computations: From endohedral and polyradical systems to multidimensional networks.
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- Pure & Applied Chemistry, 2009, v. 81, n. 4, p. 719, doi. 10.1351/PAC-CON-08-09-18
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- Article
Design of Carborane Molecular Architectures via Electronic Structure Computations.
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- International Journal of Photoenergy, 2009, p. 1, doi. 10.1155/2009/292393
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- Article
Progress and Challenges in the Calculation of Electronic Excited States.
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- ChemPhysChem, 2012, v. 13, n. 1, p. 28, doi. 10.1002/cphc.201100200
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- Article
Asymmetry and Non-Adiabaticity in Fragmentation of Disulfide Bonds upon Electron Capture.
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- ChemPhysChem, 2010, v. 11, n. 12, p. 2530, doi. 10.1002/cphc.201000320
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- Article
Ultrafast Decay of the Excited Singlet States of Thioxanthone by Internal Conversion and Intersystem Crossing.
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- ChemPhysChem, 2010, v. 11, n. 2, p. 480, doi. 10.1002/cphc.200900654
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- Article
Rydberg or Valence? The Long-Standing Question in the UV Absorption Spectrum of 1,1′-Bicyclohexylidene.
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- ChemPhysChem, 2008, v. 9, n. 17, p. 2544, doi. 10.1002/cphc.200800454
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- Article
On the photoproduction of DNA/RNA cyclobutane pyrimidine dimers.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2011, v. 128, n. 4-6, p. 705, doi. 10.1007/s00214-010-0854-z
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- Article
Modeling hole transfer in DNA. II. Molecular basis of charge transport in the DNA chain.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2010, v. 126, n. 3/4, p. 177, doi. 10.1007/s00214-009-0626-9
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- Article
About the intrinsic photochemical properties of the 11-cis retinal chromophore: computational clues for a trap state and a lever effect in Rhodopsin catalysis.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2007, v. 118, n. 1, p. 173, doi. 10.1007/s00214-007-0259-9
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- Article
Is the CH<sub>2</sub>OH + O<sub>2</sub> → CH<sub>2</sub> = O + HO<sub>2</sub> Reaction Barrierless? An Ab Initio Study on the Reaction Mechanism.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2006, v. 116, n. 4/5, p. 637, doi. 10.1007/s00214-006-0109-1
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- Article
Solvent effects on electronic spectra studied by multiconfigurational perturbation theory.
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- International Journal of Quantum Chemistry, 1997, v. 65, n. 2, p. 167, doi. 10.1002/(SICI)1097-461X(1997)65:2<167::AID-QUA8>3.0.CO;2-U
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- Article
A Three-State Model for the Photophysics of Adenine.
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- Chemistry - A European Journal, 2006, v. 12, n. 25, p. 6559, doi. 10.1002/chem.200501515
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- Article
A Theoretical Study of the Indigoid Dyes and Their Chromophore.
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- Chemistry - A European Journal, 1997, v. 3, n. 5, p. 717, doi. 10.1002/chem.19970030511
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- Article
MOLCAS 7: The Next Generation.
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- Journal of Computational Chemistry, 2010, v. 31, n. 1, p. 224, doi. 10.1002/jcc.21318
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- Article
A computational study of the lowest singlet and triplet states of neutral and dianionic 1,2-substituted icosahedral and octahedral o-carboranes.
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- Journal of Computational Chemistry, 2006, v. 27, n. 4, p. 524, doi. 10.1002/jcc.20359
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- Article
Two- and three-state conical intersections in the electron capture dissociation of disulfides: The importance of multireference calculations.
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- International Journal of Quantum Chemistry, 2011, v. 111, n. 13, p. 3316, doi. 10.1002/qua.23015
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Organic spectroscopy under Björn O. Roos.
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- International Journal of Quantum Chemistry, 2011, v. 111, n. 13, p. 3284, doi. 10.1002/qua.23116
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On the role of the triplet state in the cis/ trans isomerization of rhodopsin: A CASPT2//CASSCF study of a model chromophore.
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- International Journal of Quantum Chemistry, 2011, v. 111, n. 13, p. 3431, doi. 10.1002/qua.23079
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- Article
Theoretical electronic spectra of 2-aminopurine in vapor and in water.
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- International Journal of Quantum Chemistry, 2006, v. 106, n. 13, p. 2564, doi. 10.1002/qua.20967
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2MOLCAS as a development platform for quantum chemistry software.
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- International Journal of Quantum Chemistry, 2004, v. 100, n. 4, p. 626, doi. 10.1002/qua.20166
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Theoretical studies on the spectroscopy of the 7-azaindole monomer and dimer.
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- International Journal of Quantum Chemistry, 2001, v. 84, n. 2, p. 181, doi. 10.1002/qua.1320
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- Article