31 results on '"Excited state"'
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2. Effect of an electric field on the molecular properties of tributyrin, tricaproin and tricaprylin: a theoretical study
3. High-j Proton h11/2 and g7/2 Intruder Bands in 113In
4. A DFT study on the photoelectric properties of rubrene and its derivatives
5. On the orthogonality of states with approximate wavefunctions
6. Prediction of the lowest charge-transfer excited-state energy at the donor–acceptor interface in a condensed phase using ground-state DFT calculations with generalized Kohn–Sham functionals
7. A QM-MD simulation approach to the analysis of FRET processes in (bio)molecular systems. A case study: complexes of E. coli purine nucleoside phosphorylase and its mutants with formycin A
8. 13Cα CEST experiment on uniformly 13C-labeled proteins
9. Methylenecyclopropene: local vision of the first 1B2 excited state
10. Accurate simulation of geometry, singlet-singlet and triplet-singlet excitation of cyclometalated iridium(III) complex
11. Excited-state relaxation paths of oxo/hydroxy and N9H/N7H tautomers of guanine: a CC2 theoretical study
12. Calixarene building block bis(2-hydroxyphenyl)methane (2HDPM) and hydrogen-bonded 2HDPM-H2O complex in electronic excited state
13. Spectroscopic investigations and hydrogen bond interactions of 8-aza analogues of xanthine, theophylline and caffeine: a theoretical study
14. A theoretical study on the red- and blue-shift hydrogen bonds of cis-trans formic acid dimer in excited states
15. Time-dependent density functional theory study on the electronic excited-state hydrogen bonding of the chromophore coumarin 153 in a room-temperature ionic liquid
16. Eigenvalue spectra of a PT-symmetric coupled quartic potential in two dimensions
17. Computational (DFT and TD DFT) study of the electron structure of the tautomers/conformers of uridine and deoxyuridine and the processes of intramolecular proton transfers
18. Mechanism for quenching of the luminescence of 9,10-anthraquinone vapor by oxygen
19. Application of the molecular dynamics method and the excited state model to the investigation of the glass transition in argon
20. Interfacial properties of hybrid nanomaterials
21. Activity of Closed d-Shells in Noble Metal Atoms
22. Determination of the Dipole Moments of Excited Complexes of Polar Compounds in Proton-Donor Solvents by the Quenching of their Fluorescence
23. Length of Soliton Wave in the Excited State in the Cations of Symmetrical Pyridocyanines and Their Carbo and Hetero Analogs
24. Radiative and Nonradiative Deactivation of the 1Δ g State of Molecular Oxygen in Solutions of Saturated Hydrocarbons
25. Spin‐Orbital Interaction in Molecular Complexes of Naphthalene with Anthracene Derivatives
26. Excited states, relaxation processes, and coordination reactions in the active centers of heme proteins
27. Molecule of the month: Molecular-Chameleon: Solvatochromism at its iridescent best!
28. Two-photon absorption by Nd3+ impurity ions in YAG and YLF crystals at 1.06 μm
29. Excited state relaxation processes of crowned styryl dyes and their metal complexes
30. MNDO-EHP method for the calculation of vertical excitation energies
31. Locate the electrons
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