| scholarly article | Q13442814 |
| P356 | DOI | 10.1063/1.4720090 |
| P698 | PubMed publication ID | 22667560 |
| P50 | author | Thomas Carell | Q109816 |
| Wolfgang Zinth | Q1679080 | ||
| Benjamin P. Fingerhut | Q56997615 | ||
| P2093 | author name string | Regina de Vivie-Riedle | |
| Korbinian Heil | |||
| Wolfgang J Schreier | |||
| Sven Oesterling | |||
| Andreas Glas | |||
| Karin Haiser | |||
| P2860 | cites work | Singlet excited-state behavior of uracil and thymine in aqueous solution: a combined experimental and computational study of 11 uracil derivatives | Q46887004 |
| Combining Quantum Mechanics Methods with Molecular Mechanics Methods in ONIOM. | Q51630551 | ||
| Analytic evaluation of nonadiabatic coupling terms at the MR-CI level. I. Formalism. | Q51636123 | ||
| Ab initio molecular dynamics and time-resolved photoelectron spectroscopy of electronically excited uracil and thymine. | Q51908461 | ||
| How shaped light discriminates nearly identical biochromophores. | Q52901323 | ||
| Theoretical studies on photoisomerizations of (6-4) and Dewar photolesions in DNA. | Q53265327 | ||
| A computer simulation method for the calculation of equilibrium constants for the formation of physical clusters of molecules: Application to small water clusters | Q56432306 | ||
| FLUORESCENCE QUANTUM YIELD DETERMINATION OF PYRIMIDINE (6-4) PYRIMIDONE PHOTOADDUCTS | Q56919103 | ||
| Mechanism of UV-Induced Formation of Dewar Lesions in DNA | Q57376745 | ||
| QM/MM: what have we learned, where are we, and where do we go from here? | Q57402150 | ||
| Ultrafast Deactivation Channel for Thymine Dimerization | Q57588718 | ||
| Thymine dimerization in DNA is an ultrafast photoreaction | Q24642044 | ||
| DNA (6-4) photolyases reduce Dewar isomers for isomerization into (6-4) lesions | Q27659908 | ||
| Bicycle-pedal model for the first step in the vision process | Q28184176 | ||
| Ab initio studies on the radiationless decay mechanisms of the lowest excited singlet states of 9H-adenine | Q30851107 | ||
| DNA excited-state dynamics: from single bases to the double helix | Q33384715 | ||
| Photochemical reaction dynamics of the primary event of vision studied by means of a hybrid molecular simulation | Q33874533 | ||
| Tautomeric selectivity of the excited-state lifetime of guanine/cytosine base pairs: the role of electron-driven proton-transfer processes. | Q34212590 | ||
| Relaxation mechanisms of UV-photoexcited DNA and RNA nucleobases | Q34411668 | ||
| Primary processes underlying the photostability of isolated DNA bases: adenine | Q34771917 | ||
| Internal conversion to the electronic ground state occurs via two distinct pathways for pyrimidine bases in aqueous solution | Q35578677 | ||
| Solution-state structure of the Dewar pyrimidinone photoproduct of thymidylyl-(3'----5')-thymidine | Q36439402 | ||
| Incorporation of a QM/MM buffer zone in the variational double self-consistent field method | Q37301582 | ||
| The thymine-thymine pyrimidine-pyrimidone(6-4) ultraviolet light photoproduct is highly mutagenic and specifically induces 3' thymine-to-cytosine transitions in Escherichia coli | Q37612232 | ||
| Nonadiabatic events and conical intersections | Q37827118 | ||
| Three-layer ONIOM studies of the dark state of rhodopsin: the protonation state of Glu181. | Q40056152 | ||
| Synthesis of pyrimidin-2-one deoxyribosides and their ability to support the growth of the deoxyriboside-requiring organism Lactobacillus acidophilus R26 | Q42064042 | ||
| Conical intersection dynamics of the primary photoisomerization event in vision | Q42877841 | ||
| Exploring the sloped-to-peaked S2/S1 seam of intersection of thymine with electronic structure and direct quantum dynamics calculations | Q43072618 | ||
| Comparison of the non-radiative decay mechanisms of 4-pyrimidinone and uracil: an ab initio study | Q43091160 | ||
| Photophysics of the pi,pi* and n,pi* states of thymine: MS-CASPT2 minimum-energy paths and CASSCF on-the-fly dynamics | Q43282638 | ||
| Photodynamics simulations of thymine: relaxation into the first excited singlet state | Q43289724 | ||
| A convergence study of QM/MM isomerization energies with the selected size of the QM region for peptidic systems | Q44671997 | ||
| Efficient deactivation of a model base pair via excited-state hydrogen transfer. | Q45171568 | ||
| Triplet-state formation along the ultrafast decay of excited singlet cytosine | Q45257621 | ||
| Thymine dimerization in DNA model systems: cyclobutane photolesion is predominantly formed via the singlet channel | Q46077403 | ||
| Photoinduced nonadiabatic dynamics of pyrimidine nucleobases: on-the-fly surface-hopping study with semiempirical methods | Q46111111 | ||
| Ultrafast internal conversion pathway and mechanism in 2-(2'-hydroxyphenyl)benzothiazole: a case study for excited-state intramolecular proton transfer systems. | Q46118851 | ||
| Excited-state dynamics of cytosine reveal multiple intrinsic subpicosecond pathways | Q46249391 | ||
| Nonradiative decay mechanisms of the biologically relevant tautomer of guanine. | Q46286615 | ||
| Searching for conical intersections of potential energy surfaces with the ONIOM method: application to previtamin D. | Q46476611 | ||
| Molecular basis of DNA photodimerization: intrinsic production of cyclobutane cytosine dimers. | Q46483883 | ||
| Three-state conical intersections in cytosine and pyrimidinone bases | Q46553326 | ||
| Ab initio study of a biradical radiationless decay channel of the lowest excited electronic state of cytosine and its derivatives | Q46704522 | ||
| Ab initio multiple spawning dynamics using multi-state second-order perturbation theory | Q46882516 | ||
| P433 | issue | 20 | |
| P407 | language of work or name | English | Q1860 |
| P304 | page(s) | 204307 | |
| P577 | publication date | 2012-05-01 | |
| P1433 | published in | Journal of Chemical Physics | Q900472 |
| P1476 | title | ONIOM approach for non-adiabatic on-the-fly molecular dynamics demonstrated for the backbone controlled Dewar valence isomerization. | |
| P478 | volume | 136 |
| Q53033883 | Design of specially adapted reactive coordinates to economically compute potential and kinetic energy operators including geometry relaxation. |
| Q38675953 | Dewar valence isomers, the third type of environmentally relevant DNA photoproducts induced by solar radiation. |
| Q49852856 | Mechanism of ultrafast non-reactive deactivation of the retinal chromophore in non-polar solvents. |
| Q37058620 | Monitoring Non-Adiabatic Dynamics of the RNA Base Uracil by UV-Pump-IR-Probe Spectroscopy |
| Q36458849 | Monitoring conical intersections in the ring opening of furan by attosecond stimulated X-ray Raman spectroscopy |
| Q37644148 | Probing the Conical Intersection Dynamics of the RNA Base Uracil by UV-Pump Stimulated-Raman-Probe Signals; Ab Initio Simulations |
| Q48122153 | Substituent effects on the relaxation dynamics of furan, furfural and β-furfural: a combined theoretical and experimental approach |
| Q58765577 | Time-resolved nuclear dynamics in bound and dissociating acetylene |
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