Nonempirical anharmonic vibrational perturbation theory applied to biomolecules: Free-base porphin

Journal of Physical Chemistry A

Volumn 119, Issue 9, 2015, Pages 1616-1627

  Krasnoshchekov, Sergey V ^a   Stepanov, Nikolay F ^a  

^a MOSCOW STATE UNIVERSITY   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

DIPOLE MOMENT; MOLECULAR VIBRATIONS; POLARIZATION; POTENTIAL ENERGY; QUANTUM CHEMISTRY; QUANTUM THEORY; VIBRATIONS (MECHANICAL);

ANHARMONIC VIBRATIONAL FREQUENCY; EQUILIBRIUM CONFIGURATION; EXCHANGE-CORRELATION FUNCTIONALS; EXPERIMENTAL FREQUENCIES; HARMONIC FORCE FIELDS; QUARTIC FORCE FIELDS; THEORETICAL APPROACH; VIBRATIONAL PERTURBATION THEORY;

PERTURBATION TECHNIQUES;

PORPHINE; PORPHYRIN;

CHEMISTRY; QUANTUM THEORY; VIBRATION;

PORPHYRINS; QUANTUM THEORY; VIBRATION;

EID: 84924241833     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp5077092     Document Type: Article

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