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Vibrational spectroscopy of the G...C base pair: Experiment, harmonic and anharmonic calculations, and the nature of the anharmonic couplings
The results of harmonic and anharmonic frequency calculations on a guanine theory. Anharmonic frequencies were obtained by the CC-VSCF method with improved PM3 to gas-phase IR-UV double resonance spectral data. Har...
CF - Fyzikální chemie a teoretická chemie
- 2005 •
- Jx
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Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Anharmonic vibrational frequency calculations for solvated molecules in the B3LYP Kohn?Sham basis set limit
The solvent dependence of harmonic and anharmonic vibrational wavenumbers of water, formaldehyde and formamide was studied using the B3LYP method....
CF - Fyzikální chemie a teoretická chemie
- 2012 •
- Jx •
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Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
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Reliable Theoretical Treatment of Molecular Clusters: Counterpoise-Corrected Potential Energy Surface and Anharmonic Vibrational Frequencies of the Water Dimer.
Original scientific paper dealing with Reliable Theoretical Treatment of Molecular Clusters: Counterpoise-Corrected Potential Energy Surface and Anharmonic Vibrational Frequencies of the Water Dimer....
CF - Fyzikální chemie a teoretická chemie
- 1999 •
- Jx
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Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Neutron TAS spin-echo - a handle to anharmonic effects in lattice dynamics.
The combination of two traditional neutron techniques-three-axis spectroscopy and spin-echo spectroscopy-opens access to experimental studies of weak anharmonic effects in lattice dynamics, such at thermal variation of photon frequencies...
BG - Jaderná, atomová a molekulová fyzika, urychlovače
- 2002 •
- Jx
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Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Tuning of dielectric properties of SrTiO3 in the terahertz range
is interpreted in terms of soft-mode hardening due to the anharmonic character of its potential. No additional low-frequency relaxation mode was observed. A weak temperature dependence of the anharmonic coefficients was fo...
BM - Fyzika pevných látek a magnetismus
- 2011 •
- Jx •
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Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
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The ab initio assigning of the vibrational probing modes of tryptophan: linear shifting of approximate anharmonic frequencies vs. multiplicative scaling of harmonic frequencies
-dimensional anharmonic Hamiltonians and potential energy functions evaluated by means...
CF - Fyzikální chemie a teoretická chemie
- 2009 •
- Jx
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Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Experimental observation of anharmonic effects in coherent phonon dynamics in diamond
We present a study of coherent optical phonon dynamics in monocrystalline and polycrystalline diamond using transient transmission spectroscopy with few-cycle laser pulses. Besides the oscillations at the fundamental phonon frequency of 40 T...
Optics (including laser optics and quantum optics)
- 2018 •
- Jimp •
- Link
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Jimp - Článek v periodiku v databázi Web of Science
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Universal anharmonicity and vibrational anomaly in nuclei.
Universal anharmonicity and vibrational anomaly in nuclei.
BG - Jaderná, atomová a molekulová fyzika, urychlovače
- 2001 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
CH Stretching Region: Computational Modeling of Vibrational Optical Activity
to be more sensitive to the basis set and solvent variations than lower-frequency vibrations. For a higher accuracy in frequencies and spectral shapes, anharmonic corrections were necessary. Accurate harmonic and anhar...
BO - Biofyzika
- 2013 •
- Jx •
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Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
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Log-anharmonic oscillator and its large-N solution
Anharmonic oscillator is considered using an unusual, logarithmic form of the anharmonicity. The model is shown connected with the more conventional power-law anharmonicity similar to vertical bar x vertical bar(alpha) in t...
Atomic, molecular and chemical physics (physics of atoms and molecules including collision, interaction with radiation, magnetic resonances, Mössbauer effect)
- 2018 •
- Jimp •
- Link
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Jimp - Článek v periodiku v databázi Web of Science
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