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Angewandte Chemie International Edition, ISSN 1433-7851, 10/2018, Volume 57, Issue 40, pp. 13344 - 13348
Journal Article
Theoretical Chemistry Accounts, ISSN 1432-881X, 02/2019, Volume 138, Issue 2, p. 1
This work presents a computational insight into the vibrational circular dichroism (VCD) spectra of methionine, serine and glutamine in gas and solvent (water... 
Vibrational frequency | Medium effect | Hydrogen bonding | VCD | Chiral amino acid | SERINE | CHEMISTRY, PHYSICAL | SPECTRA | Molecular dynamics | Density functionals | Hydrogen | Analysis | Glutamine
Journal Article
Analytical Biochemistry, ISSN 0003-2697, 09/2019, Volume 580, pp. 14 - 20
-Serine is considered a key endogenous substance involved in several enzymatic reactions in the human body. In this study, solid-state vibrational circular... 
Density functional theory | Solid-state nuclear magnetic resonance | Vibrational circular dichroism | d-serine | CHEMISTRY, ANALYTICAL | D-serine | ENANTIOMERS | BIOCHEMISTRY & MOLECULAR BIOLOGY | BIOCHEMICAL RESEARCH METHODS | PEPTIDES | ALANINE | AMINO-ACIDS | VCD | NITROGEN | SPECTRA | Density functionals | Enzymes | Serine
Journal Article
Physical chemistry chemical physics : PCCP, ISSN 1463-9076, 02/2019, Volume 21, Issue 8, pp. 4224 - 4239
Journal Article
Chemistry – A European Journal, ISSN 0947-6539, 09/2019, Volume 25, Issue 54, pp. 12560 - 12566
Vibrational circular dichroism (VCD) studies are reported on a chiral compound in which a fullerene C60 moiety is used as an electron acceptor and local VCD... 
spectroelectrochemistry | density functional calculations | fullerenes | chirality | vibrational circular dichroism | Amplifiers (Electronics) | Amplification | Electron states | Alanine | Dichroism | Fullerenes | Buckminsterfullerene | Amplifiers | Circular dichroism | Full Paper | Full Papers
Journal Article
Physical Review Letters, ISSN 0031-9007, 08/2018, Volume 121, Issue 7
We present a general theory that enables the first nonempirical computation of molecular vibrational Zeeman effects as are detectable with magnetic vibrational... 
Spectroscopy | Molecular structure | Computer simulation | Spectrum analysis | Dichroism | Magnetic moments | Vibrational states
Journal Article