Related references
Note: Only part of the references are listed.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)
Overtones of νCN Vibration as a Probe of Structure of Liquid CH3CN, CD3CN, and CCl3CN: Combined Infrared, Near-Infrared, and Raman Spectroscopic Studies with Anharmonic Density Functional Theory Calculations
Krzysztof Bernard Bec et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2019)
The Effect of Chain Length on Mid-Infrared and Near-Infrared Spectra of Aliphatic 1-Alcohols
Michal Kwasniewicz et al.
APPLIED SPECTROSCOPY (2018)
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)
Spectroscopic and Quantum Mechanical Calculation Study of the Effect of Isotopic Substitution on NIR Spectra of Methanol
Justyna Grabska et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2017)
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)
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)
Advances in Molecular Structure and Interaction Studies Using Near-Infrared Spectroscopy
Miroslaw Antoni Czarnecki et al.
CHEMICAL REVIEWS (2015)
Anharmonic Effects on Vibrational Spectra Intensities: Infrared, Raman, Vibrational Circular Dichroism, and Raman Optical Activity
Julien Bloino et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2015)
MIR and NIR group spectra of n-alkanes and 1-chloroalkanes
Michal Kwasniewicz et al.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY (2015)
Combined IR/NIR and Density Functional Theory Calculations Analysis of the Solvent Effects on Frequencies and Intensities of the Fundamental and Overtones of the C=O Stretching Vibrations of Acetone and 2-Hexanone
Yujing Chen et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2014)
Fully anharmonic IR and Raman spectra of medium-size molecular systems: accuracy and interpretation
Vincenzo Barone et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2014)
Effect of the Damping Function in Dispersion Corrected Density Functional Theory
Stefan Grimme et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2011)
Anharmonic spectra of methanol and silanol:: A comparative study
FP Ureña et al.
JOURNAL OF MOLECULAR SPECTROSCOPY (2005)
Anharmonic vibrational properties by a fully automated second-order perturbative approach
V Barone
JOURNAL OF CHEMICAL PHYSICS (2005)
Characterization of infrared and near-infrared absorptions of free alcoholic OH groups in hydrocarbon
R Iwamoto et al.
APPLIED SPECTROSCOPY (2004)
Hydrogen bonding of water in aqueous solutions of trimethylamine-N-oxide and tert-butyl alcohol:: A near-infrared spectroscopy study
A Di Michele et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2004)
Near-infrared spectroscopic study of self-association of octanoic acid
MA Czarnecki
CHEMICAL PHYSICS LETTERS (2003)
Anharmonicity and hydrogen bonding I. A near-infrared study of methanol trapped in nitrogen and argon matrices
JP Perchard et al.
CHEMICAL PHYSICS (2001)