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Theoretical electronic structure with spin–orbit coupling effect of the molecules SrAt and BaAt for laser cooling studies.
- Published in:
- Scientific Reports, 2024, v. 14, n. 1, p. 1, doi. 10.1038/s41598-024-53564-5
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- Article
AlF–AlF Reaction Dynamics between 200 K and 1000 K: Reaction Mechanisms and Intermediate Complex Characterization.
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- Molecules, 2024, v. 29, n. 1, p. 222, doi. 10.3390/molecules29010222
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- Article
Laser cooling with intermediate state of spin–orbit coupling of LuF molecule.
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- Scientific Reports, 2023, v. 13, n. 1, p. 1, doi. 10.1038/s41598-023-32439-1
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- Article
Extensive theoretical studies of the highly excited electronic states with the experimental parameters calculation for the laser cooling of CaI molecule.
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- Canadian Journal of Physics, 2023, v. 101, n. 4, p. 157, doi. 10.1139/cjp-2022-0143
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- Article
Franck‐Condon factors within damped displacement harmonic oscillators: Solvent‐enhanced absorption and fluorescence spectra.
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- Journal of the Chinese Chemical Society, 2023, v. 70, n. 3, p. 219, doi. 10.1002/jccs.202200341
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- Article
Correction to: Franck–Condon Factors for Forbidden Transitions in N<sub>2</sub> and N<sub>2</sub><sup>+</sup> Molecules.
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- 2023
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- Correction Notice
Franck–Condon Factors for Allowed Transitions in N<sub>2</sub> and N<sub>2</sub><sup>+</sup> Molecules.
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- Russian Physics Journal, 2023, v. 65, n. 9, p. 1461, doi. 10.1007/s11182-023-02791-w
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- Article
Evidence of exciton-libron coupling in chirally adsorbed single molecules.
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- Nature Communications, 2022, v. 13, n. 1, p. 1, doi. 10.1038/s41467-022-33653-7
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- Article
A Red‐Light‐Driven CO‐Releasing Complex: Photoreactivities and Excited‐State Dynamics of Highly Distorted Tricarbonyl Rhenium Phthalocyanines.
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- Chemistry - A European Journal, 2022, v. 28, n. 48, p. 1, doi. 10.1002/chem.202200716
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- Article
Density Functional Theory Analysis of Ground State and Evaluation of Transition Probability Parameters for Carbon Mono-Fluoride Molecule.
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- Journal of Applied Spectroscopy, 2022, v. 89, n. 2, p. 330, doi. 10.1007/s10812-022-01362-0
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- Article
Quantum–Classical Mechanics: Nano-Resonance in Polymethine Dyes †.
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- Mathematics (2227-7390), 2022, v. 10, n. 9, p. 1443, doi. 10.3390/math10091443
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- Article
The ezSpectra suite: An easy‐to‐use toolkit for spectroscopy modeling.
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- WIREs: Computational Molecular Science, 2022, v. 12, n. 2, p. 1, doi. 10.1002/wcms.1546
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- Article
Optical Features of Aggregation‐Induced Emission in BODIPY With Isopropyl meso Group.
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- Bulletin of the Korean Chemical Society, 2021, v. 42, n. 4, p. 567, doi. 10.1002/bkcs.12252
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- Article
Chemical enhancement effects on protoporphyrin IX surface‐enhanced Raman spectra: Metal substrate dependence and a vibronic theory analysis.
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- Journal of Raman Spectroscopy, 2021, v. 52, n. 2, p. 323, doi. 10.1002/jrs.6009
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- Article
Dynamic Symmetry in Dozy-Chaos Mechanics.
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- Symmetry (20738994), 2020, v. 12, n. 11, p. 1856, doi. 10.3390/sym12111856
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- Article
Multiphonon Relaxation of the 1s(T<sub>2</sub>) States of a Singly Ionized Selenium Donor in Silicon.
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- Semiconductors, 2020, v. 54, n. 9, p. 1112, doi. 10.1134/S1063782620090043
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- Article
The diatomic molecular spectroscopy database.
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- Journal of Cheminformatics, 2020, v. 12, n. 1, p. 1, doi. 10.1186/s13321-020-00433-8
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- Article
Controlling the nonadiabatic electron-transfer reaction rate through molecular-vibration polaritons in the ultrastrong coupling regime.
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- Scientific Reports, 2020, v. 10, n. 1, p. 1, doi. 10.1038/s41598-020-62899-8
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- Article
Visible Light-Induced Homolytic Cleavage of Perfluoroalkyl Iodides Mediated by Phosphines.
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- Molecules, 2020, v. 25, n. 7, p. 1606, doi. 10.3390/molecules25071606
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- Article
A theoretical investigation of the SO(B3Σ--X3Σ-) vibronic transition using accurate analytical potential energy functions.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2020, v. 139, n. 3, p. 1, doi. 10.1007/s00214-020-2571-6
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- Article
Laser-Plasma Spectroscopy of Hydroxyl with Applications.
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- Molecules, 2020, v. 25, n. 4, p. 988, doi. 10.3390/molecules25040988
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- Article
An algebraic approach to calculate Franck–Condon factors.
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- Journal of Mathematical Chemistry, 2020, v. 58, n. 1, p. 29, doi. 10.1007/s10910-019-01071-8
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- Article
Valence Photoionization of Thymine: Ionization Energies, Vibrational Structure, and Fragmentation Pathways from the Slow to the Ultrafast.
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- Chemistry - A European Journal, 2019, v. 25, n. 62, p. 14192, doi. 10.1002/chem.201903282
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- Article
Potential energy curves, turning points, Franck–Condon factors and r-centroids for the astrophysically interesting S2 molecule.
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- Astrophysics & Space Science, 2019, v. 364, n. 10, p. N.PAG, doi. 10.1007/s10509-019-3656-3
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- Article
Vibrationally-resolved excitation and dissociation collision strengths of AlO<sup>+</sup> by electron-impact using the R-matrix method.
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- European Physical Journal D (EPJ D), 2019, v. 73, n. 7, p. N.PAG, doi. 10.1140/epjd/e2019-90581-6
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- Article
Optical Spectroscopy of the Au<sub>4</sub><sup>+</sup> Cluster: The Resolved Vibronic Structure Indicates an Unexpected Isomer.
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- Angewandte Chemie, 2019, v. 131, n. 11, p. 3394, doi. 10.1002/ange.201813094
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- Article
Calculation of the Radiative Parameters for the (2)2Σ+–X2Σ+ Electronic Transition of NaK+ and NaCs+ Molecular Ions.
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- Journal of Applied Spectroscopy, 2019, v. 86, n. 1, p. 27, doi. 10.1007/s10812-019-00776-7
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- Article
A Detailed Investigation of Certain Electronic Transitions of the BaD Molecule for Astrophysical Applications.
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- Journal of Applied Spectroscopy, 2019, v. 86, n. 1, p. 147, doi. 10.1007/s10812-019-00795-4
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- Article
Toward Fast and Efficient Visible‐Light‐Driven Molecular Motors: A Minimal Design.
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- ChemistryOpen, 2018, v. 7, n. 8, p. 583, doi. 10.1002/open.201800089
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- Article
Computational simulation of vibrationally resolved spectra for spin‐forbidden transitions.
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- Chirality, 2018, v. 30, n. 7, p. 850, doi. 10.1002/chir.22864
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- Article
Organic Microcrystal Vibronic Lasers with Full‐Spectrum Tunable Output beyond the Franck–Condon Principle.
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- Angewandte Chemie, 2018, v. 130, n. 12, p. 3162, doi. 10.1002/ange.201712524
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- Article
Identification of a Stable Zn<sup>II</sup>-Oxyl Species Produced in an MFI Zeolite and Its Reversible Reactivity with O<sub>2</sub> at Room Temperature.
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- Angewandte Chemie, 2017, v. 129, n. 33, p. 9847, doi. 10.1002/ange.201702570
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- Article
The influence of terminal substituents of diphenylbutadiene on the parameters of intra- and intermolecular interactions.
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- Optics & Spectroscopy, 2017, v. 122, n. 4, p. 615, doi. 10.1134/S0030400X17040129
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- Article
Optical Autler-Townes spectroscopy in a heteronuclear mixture of laser-cooled atoms.
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- Applied Physics B: Lasers & Optics, 2017, v. 123, n. 1, p. 1, doi. 10.1007/s00340-016-6578-6
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- Article
The absorption and emission spectra in solution of oligothiophene-based push–pull biomarkers: a PCM/TD-DFT vibronic study.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2016, v. 135, n. 6, p. 1, doi. 10.1007/s00214-016-1899-4
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- Article
Isotope effects on the formation of the lowest rovibrational level of NaH molecule via pump–dump photoassociation.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2015, v. 134, n. 7, p. 1, doi. 10.1007/s00214-015-1680-0
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- Article
Photophysical properties of porphyrins with sterically distorted and partially screened macrocycles.
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- Optics & Spectroscopy, 2015, v. 118, n. 6, p. 882, doi. 10.1134/S0030400X15060107
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- Article
Unraveling Ultrafast Photoinduced Proton Transfer Dynamics in a Fluorescent Protein Biosensor for Ca<sup>2+</sup> Imaging.
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- Chemistry - A European Journal, 2015, v. 21, n. 17, p. 6481, doi. 10.1002/chem.201500491
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- Article
Molecular electronic spectroscopy: from often neglected fundamental principles to limitations of state-of-the-art computational methods.
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- Coloration Technology, 2015, v. 131, n. 1, p. 9, doi. 10.1111/cote.12120
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- Article
A theoretical investigation of the S<sub>2</sub><sup>+</sup> cation in the gas phase.
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- Canadian Journal of Chemistry, 2014, v. 92, n. 11, p. 1041, doi. 10.1139/cjc-2014-0255
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- Article
Calculation and interpretation of vibronic absorption and fluorescence spectra of the first electronic nπ* transitions of pyridine and pyrimidine.
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- Optics & Spectroscopy, 2014, v. 117, n. 5, p. 713, doi. 10.1134/S0030400X14100221
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- Article
New Developments of a Multifrequency Virtual Spectrometer: Stereo-Electronic, Dynamical, and Environmental Effects on Chiroptical Spectra.
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- Chirality, 2014, v. 26, n. 9, p. 228, doi. 10.1002/chir.22325
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- Article
Franck-Condon factors using supervised artificial neural networks. I. The CF cation.
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- Journal of Molecular Modeling, 2014, v. 20, n. 6, p. 1, doi. 10.1007/s00894-014-2300-y
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- Article
Ab initio MRCI+Q Investigations of Spectroscopic Properties of Several Low-lying Electronic States of S<sub>2</sub><sup>+</sup> Cation.
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- Bulletin of the Korean Chemical Society, 2014, v. 35, n. 5, p. 1397, doi. 10.5012/bkcs.2014.35.5.1397
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- Article
Molecular Mechanism of Diaminomaleonitrile to Diaminofumaronitrile Photoisomerization: An Intermediate Step in the Prebiotic Formation of Purine Nucleobases.
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- Chemistry - A European Journal, 2014, v. 20, n. 9, p. 2515, doi. 10.1002/chem.201304224
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- Article
Occurrence of AlO Molecular Lines in Sunspot Umbral Spectra.
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- Solar Physics, 2013, v. 286, n. 2, p. 315, doi. 10.1007/s11207-013-0264-1
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- Article
Mechanistic Investigations on the Photoisomerization Reactions of 1,2-Dihydro-1,2-Azaborine.
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- Chemistry - A European Journal, 2013, v. 19, n. 29, p. 9663, doi. 10.1002/chem.201204537
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- Article
Franck-Condon factors-Computational approaches and recent developments.
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- Canadian Journal of Chemistry, 2013, v. 91, n. 7, p. 495, doi. 10.1139/cjc-2012-0518
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- Article
Photogeneration and reactions of benzhydryl cations and radicals: A complex sequence of mechanisms from femtoseconds to microseconds.
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- Pure & Applied Chemistry, 2013, v. 85, n. 7, p. 1487, doi. 10.1351/PAC-CON-13-04-01
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- Article
Structural dynamics of 4-pyrimidone in lower-lying excited States.
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- Journal of Raman Spectroscopy, 2013, v. 44, n. 6, p. 834, doi. 10.1002/jrs.4295
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- Article