Works matching DE "FRANCK-Condon principle"
Results: 100
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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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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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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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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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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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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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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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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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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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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Franck-Condon factors andr-centroids for certain band systems of astrophysical molecules SrF and ScF.
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- Astrophysics & Space Science, 2005, v. 295, n. 4, p. 443, doi. 10.1007/s10509-005-0743-4
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Estimation of potential energy curves, dissociation energies, franck-condon factors and r-centroids of comet interesting molecules.
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- Astrophysics & Space Science, 2003, v. 286, n. 3/4, p. 419, doi. 10.1023/A:1026373811975
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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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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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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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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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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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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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Franck-Condon factors in curvilinear coordinates: the photoelectron spectrum of ammonia.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2012, v. 131, n. 3, p. 1, doi. 10.1007/s00214-012-1181-3
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Photophysical properties and vibrational structure of ladder-type penta p-phenylene and carbazole derivatives based on SAC-CI calculations.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2011, v. 130, n. 2/3, p. 161, doi. 10.1007/s00214-011-0949-1
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Electron transfer rates and Franck–Condon factors: an application to the early electron transfer steps in photosynthetic reaction centers.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2007, v. 117, n. 5/6, p. 957, doi. 10.1007/s00214-006-0215-0
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Tailoring model Hamiltonians for dihalogen—rare gas matrix problems.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2007, v. 117, n. 4, p. 521, doi. 10.1007/s00214-006-0177-2
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Ab initio study of structures and energies of Al<sub>2</sub>H<sub>4</sub> and Al<sub>2</sub>H.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2006, v. 115, n. 4, p. 291, doi. 10.1007/s00214-005-0015-y
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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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A general analytical expression for the two-dimensional Franck-Condon integral and simulation of the photoelectron spectra of nitrogen dioxide.
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- Molecular Physics, 2011, v. 109, n. 13, p. 1727, doi. 10.1080/00268976.2011.587461
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Competition between reaction channels in electron collisions of vibrationally excited [image omitted].
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- Molecular Physics, 2010, v. 108, n. 16, p. 2093, doi. 10.1080/00268976.2010.505211
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Computationally efficient recurrence relations for one-dimensional Franck-Condon overlap integrals.
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- Molecular Physics, 2010, v. 108, n. 11, p. 1513, doi. 10.1080/00268971003762142
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Franck-Condon profiles in photodetachment-photoelectron spectra of [image omitted] and [image omitted] based on vibrational configuration interaction wavefunctions.
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- Molecular Physics, 2010, v. 108, n. 3/4, p. 409, doi. 10.1080/00268970903521178
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An algebraic formula to calculate the three-dimensional Franck-Condon factors including the Duschinsky effect.
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- Molecular Physics, 2009, v. 107, n. 23/24, p. 2601, doi. 10.1080/00268970903468289
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Exact evaluation of the multidimensional Franck-Condon integrals based on the contour integral method.
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- Molecular Physics, 2007, v. 105, n. 13/14, p. 1903, doi. 10.1080/00268970701463276
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Franck-Condon factors for polyatomic molecules.
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- Molecular Physics, 2003, v. 101, n. 13, p. 2125, doi. 10.1080/0026897031000109310
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- Article
Study on the (1, 2) and (2, 3) bands in the comet-tail system of [sup 12]C[sup 16]O[sup +] by optical heterodyne magnetic rotation enhanced velocity modulation spectroscopy.
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- Molecular Physics, 2001, v. 99, n. 17, p. 1447, doi. 10.1080/00268970110062288
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A new semiclassical initial value method for Franck-Condon spectra.
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- Molecular Physics, 1996, v. 87, n. 4, p. 961, doi. 10.1080/00268979600100651
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Astrophysical molecule CN: vibronic transition probability parameters.
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- Bulletin of the Astronomical Society of India, 2006, v. 34, n. 2, p. 203
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Theoretical electronic structure with spin–orbit coupling effect of the molecules SrAt and BaAt for laser cooling studies.
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- Scientific Reports, 2024, v. 14, n. 1, p. 1, doi. 10.1038/s41598-024-53564-5
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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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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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Astrophysically useful radiative transition parameters for the eΠ- XΣ and Σ- XΣ systems of zirconium oxide.
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- Astrophysics & Space Science, 2011, v. 332, n. 2, p. 257, doi. 10.1007/s10509-010-0516-6
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Astrophysically Useful Parameters for Some Vibronic Transitions of AlH and BH.
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- Astrophysics & Space Science, 2006, v. 306, n. 4, p. 231, doi. 10.1007/s10509-006-9261-2
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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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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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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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Coherent electron-nuclear coupling in oligothiophene molecular wires.
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- Nature Physics, 2010, v. 6, n. 12, p. 975, doi. 10.1038/nphys1802
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Franck–Condon blockade in suspended carbon nanotube quantum dots.
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- Nature Physics, 2009, v. 5, n. 5, p. 327, doi. 10.1038/nphys1234
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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
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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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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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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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