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Journal of Computational Chemistry, ISSN 0192-8651, 04/2019, Volume 40, Issue 10, pp. 1097 - 1104
A numerically exact approach, named as the hierarchical stochastic Schrödinger equation, is employed to investigate the resonant vibration‐assisted excitation... 
energy transfer | exciton–phonon interaction | non‐Condon effect | underdamped vibration | non-Condon effect | DECOHERENCE | ELECTRONIC COHERENCE | SEMICONDUCTORS | LIVED QUANTUM COHERENCE | LATTICE-VIBRATIONS | CHEMISTRY, MULTIDISCIPLINARY | ORIGIN | exciton-phonon interaction | DYNAMICS | CHARGE SEPARATION | VIBRONIC COHERENCE | PHOTOSYNTHESIS
Journal Article
ChemPhysChem, ISSN 1439-4235, 04/2017, Volume 18, Issue 8, pp. 949 - 958
We report on the experimental and theoretical infrared spectrum of the C2H⋅⋅⋅CO2 complex. This complex was prepared by UV photolysis of propiolic acid (HC3OOH)... 
noncovalent interaction | radicals | matrix isolation | vibronic transition | IR spectroscopy
Journal Article
Chemical Physics Letters, ISSN 0009-2614, 01/2018, Volume 692, pp. 232 - 235
[Display omitted] We present here two-electronic model, which describes singlet–triplet interaction 1π-3Σ+ in linear triatomic molecules. The analysis takes... 
Vibronic matrix | Symmetry group | Basis of spin-orbitals | Relativistic pseudo-Renner effect | Space-matrix symmetry operators | Taylor series expansion of electronic Hamiltonian | Spin-orbital coupling | Taylor series expansion of electronic | JAHN-TELLER | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | Hamiltonian
Journal Article
The Journal of Physical Chemistry A, ISSN 1089-5639, 07/2007, Volume 111, Issue 28, pp. 6135 - 6145
The influence of solute−solvent interactions on the vibrational energy relaxation dynamics of perylene and substituted perylenes in the first singlet... 
POLYATOMIC-MOLECULES | JET-COOLED PERYLENE | REDISTRIBUTION | RAMAN-SPECTROSCOPY | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | ULTRAFAST CHARGE RECOMBINATION | FLUORESCENCE ANISOTROPY | VIBRONIC RELAXATION | CHEMISTRY, PHYSICAL | DYE MOLECULES | BUTTERFLY MOTION | BASIS-SET | Structure | Hydrogen bonding | Analysis | Vibrational spectra
Journal Article
Journal of Molecular Spectroscopy, ISSN 0022-2852, 01/2018, Volume 343, pp. 81 - 84
[Display omitted] The unpaired electron orbital of NO3 is of a2′ symmetry in the ground electronic state, and thus its motion about the symmetry axis of the... 
Vibronic interaction | High-resolution infrared spectroscopy | Nitrate anion | Photoelectron spectrum | Nitrate free radical | SPECTROSCOPY | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | BAND
Journal Article
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, ISSN 1463-9076, 10/2016, Volume 18, Issue 40, pp. 27745 - 27749
The imidazole group, characterized by an activated C(2)-H bond sandwiched between two N atoms, occurs in several biomolecules including alkaloids, amino acids,... 
IR-SPECTRA | HYDRATED CLUSTERS | COMPLEXES | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | GAS-PHASE | CHEMISTRY, PHYSICAL | CONFORMATIONAL PREFERENCES | VIBRONIC SPECTRA | IONIC LIQUID | INFRARED-SPECTROSCOPY | BIOMOLECULAR BUILDING-BLOCKS | N-METHYLATION
Journal Article
CHEMPHYSCHEM, ISSN 1439-4235, 04/2017, Volume 18, Issue 8, pp. 949 - 958
We report on the experimental and theoretical infrared spectrum of the C2H center dot center dot center dot CO2 complex. This complex was prepared by UV... 
OPTICAL-SPECTRUM | radicals | AB-INITIO | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | ENERGY-LEVELS | CHEMISTRY, PHYSICAL | noncovalent interaction | IR spectroscopy | ARGON MATRIX | WAVE-FUNCTIONS | matrix isolation | vibronic transition | ETHYNYL RADICAL C2H | BASIS-SETS | MATRIX-ISOLATION | COUPLED-CLUSTER THEORY | ELECTRONIC STATES
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 04/2016, Volume 144, Issue 14
Here, the C 1B2 state of SO2 has a double-minimum potential in the antisymmetric stretch coordinate, such that the minimum energy geometry has nonequivalent SO... 
pseudo Jahn-Teller | sulfur dioxide | level splitting | vibronic coupling | SO2 | ATOMIC AND MOLECULAR PHYSICS | rotation constants | Coriolis effects | wave functions | ultraviolet light
Journal Article
Synthetic Metals, ISSN 0379-6779, 10/2013, Volume 181, pp. 45 - 51
•The mechanism of the vibronic stabilization is investigated.•A phonon emitted by an electron is received by the same electron.•Independent one electron... 
High-temperature superconductivity | One-electron theory | Electron pairing | Electron–phonon interactions | Electron-phonon interactions | PHYSICS, CONDENSED MATTER | AROMATICITY | POLYMER SCIENCE | MATERIALS SCIENCE, MULTIDISCIPLINARY | VIBRONIC INTERACTIONS | DIAMAGNETIC CURRENTS | PHENANTHRENE | ANALOGY | Superconductors
Journal Article
Optics and Spectroscopy (English translation of Optika i Spektroskopiya), ISSN 0030-400X, 04/2017, Volume 122, Issue 4, pp. 615 - 624
We have analyzed the parameters of the Franck-Condon and Herzberg-Teller interactions, which form the fine-structure spectra of diphenylbutadiene substituted... 
POLYENES | FLUORESCENCE | SPECTROSCOPY | STARK SPECTROSCOPY | PICOSECOND TRANSIENT RAMAN | OPTICS | VIBRONIC INTERACTIONS | SPECTRA | Derivatives (Financial instruments)
Journal Article
Molecular Physics, ISSN 0026-8976, 06/2007, Volume 105, Issue 11-12, pp. 1603 - 1618
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 10/2015, Volume 143, Issue 16, p. 164303
Journal Article
The Journal of Physical Chemistry C, ISSN 1932-7447, 11/2011, Volume 115, Issue 43, pp. 21383 - 21389
The dependence of dimensionless electron–phonon coupling constants (λ x ), which play an important role in electrical conductivity and spectroscopy, on doped... 
C: Electron Transport, Optical and Electronic Devices, Hard Matter | VIBRATION INTERACTIONS | FULLERIDES | NONLINEAR TRANSPORT | APPROXIMATION | MATERIALS SCIENCE, MULTIDISCIPLINARY | TTF | CHEMISTRY, PHYSICAL | NANOSCIENCE & NANOTECHNOLOGY | DENSITY | FULLERENES | SUPERCONDUCTING FLUCTUATIONS | C-60 | VIBRONIC INTERACTIONS
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 2008, Volume 128, Issue 12, p. 124305
Ab initio calculations on the H++NO system have been carried out in Jacobi coordinates at the multireference configuration interaction level employing... 
CONFIGURATION-INTERACTION CALCULATIONS | VIBRONIC CHARGE-TRANSFER | MOLECULAR-SYSTEMS | VIBRATIONALLY INELASTIC-COLLISIONS | ROTATIONAL EXCITATION | COMPARING QUANTUM CALCULATIONS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | DIFFERENTIAL CROSS-SECTIONS | DYNAMICS | CHEMISTRY, PHYSICAL | ELECTRONIC STATES
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 03/2011, Volume 134, Issue 9, pp. 094109 - 094109-10
Because of the potentially large number of important applications of nonlinear optics, researchers have expended a great deal of effort to optimize the... 
CONJUGATED ORGANIC-MOLECULES | PUSH-PULL POLYMERS | FUNDAMENTAL LIMITS | 2-PHOTON ABSORPTION | ABSORPTION CROSS-SECTIONS | VIBRATIONAL OPTICAL NONLINEARITIES | BOND-LENGTH ALTERNATION | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | MODULATED CONJUGATION | VIBRONIC CONTRIBUTION | HYPER-RAYLEIGH SCATTERING | Quantum Theory | Electrons
Journal Article
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