4.7 Article

How much anharmonicity is in vibrational spectra of CH3I and CD3I?

Related references

Note: Only part of the references are listed.
Article Chemistry, Physical

Effect of conformational isomerism on NIR spectra of ethanol isotopologues. Spectroscopic and anharmonic DFT study

Krzysztof B. Bec et al.

JOURNAL OF MOLECULAR LIQUIDS (2020)

Article Instruments & Instrumentation

The Effect of Chain Length on Mid-Infrared and Near-Infrared Spectra of Aliphatic 1-Alcohols

Michal Kwasniewicz et al.

APPLIED SPECTROSCOPY (2018)

Article Chemistry, Physical

Influence of Non-fundamental Modes on Mid-infrared Spectra: Anharmonic DFT Study of Aliphatic Ethers

Krzysztof B. Bec et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2017)

Review Chemistry, Physical

Aiming at an accurate prediction of vibrational and electronic spectra for medium-to-large molecules: An overview

Julien Bloino et al.

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2016)

Article Chemistry, Physical

A spectroscopic and theoretical study in the near-infrared region of low concentration aliphatic alcohols

Krzysztof B. Bec et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2016)

Review Chemistry, Multidisciplinary

Advances in Molecular Structure and Interaction Studies Using Near-Infrared Spectroscopy

Miroslaw Antoni Czarnecki et al.

CHEMICAL REVIEWS (2015)

Article Spectroscopy

MIR and NIR group spectra of n-alkanes and 1-chloroalkanes

Michal Kwasniewicz et al.

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY (2015)

Article Chemistry, Physical

Fully anharmonic IR and Raman spectra of medium-size molecular systems: accuracy and interpretation

Vincenzo Barone et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2014)

Article Chemistry, Multidisciplinary

Effect of the Damping Function in Dispersion Corrected Density Functional Theory

Stefan Grimme et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2011)

Article Physics, Atomic, Molecular & Chemical

Anharmonic spectra of methanol and silanol:: A comparative study

FP Ureña et al.

JOURNAL OF MOLECULAR SPECTROSCOPY (2005)

Article Chemistry, Physical

Anharmonic vibrational properties by a fully automated second-order perturbative approach

V Barone

JOURNAL OF CHEMICAL PHYSICS (2005)

Article Instruments & Instrumentation

Characterization of infrared and near-infrared absorptions of free alcoholic OH groups in hydrocarbon

R Iwamoto et al.

APPLIED SPECTROSCOPY (2004)

Article Chemistry, Physical

Near-infrared spectroscopic study of self-association of octanoic acid

MA Czarnecki

CHEMICAL PHYSICS LETTERS (2003)