| 1 |
Near-Infrared Spectra of High-Density Crystalline H2O Ices II, IV, V, VI, IX, and XII
Tonauer CM, Kock EM, Gasser TM, Fuentes-Landete V, Henn R, Mayr S, Kirchler CG, Huck CW, Loerting T
Journal of Physical Chemistry A, 125(4), 1062, 2021 |
| 2 |
IR Spectra of Crystalline Nucleobases: Combination of Periodic Harmonic Calculations with Anharmonic Corrections Based on Finite Models
Bec KB, Grabska J, Czarnecki MA, Huck CW, Wojcik MJ, Nakajima T, Ozaki Y
Journal of Physical Chemistry B, 123(47), 10001, 2019 |
| 3 |
NIR Spectra Simulations by Anharmonic DFT-Saturated and Unsaturated Long-Chain Fatty Acids
Grabska J, Bec KB, Ishigaki M, Huck CW, Ozaki Y
Journal of Physical Chemistry B, 122(27), 6931, 2018 |
| 4 |
Influence of Non-fundamental Modes on Mid-infrared Spectra: Anharmonic DFT Study of Aliphatic Ethers
Bec KB, Grabska J, Ozaki Y, Hawranek JP, Huck CW
Journal of Physical Chemistry A, 121(7), 1412, 2017 |
| 5 |
Temperature Drift of Conformational Equilibria of Butyl Alcohols Studied by Near-Infrared Spectroscopy and Fully Anharmonic DFT
Grabska J, Bec KB, Ozaki Y, Huck CW
Journal of Physical Chemistry A, 121(9), 1950, 2017 |
| 6 |
The performance of RI-MP2 based potential energy surfaces in a vibrational self-consistent field treatment
Lutz OMD, Rode BM, Bonn GK, Huck CW
Chemical Physics Letters, 619, 66, 2015 |
| 7 |
A Dissociative Quantum Mechanical/Molecular Mechanical Molecular Dynamics Simulation and Infrared Experiments Reveal Characteristics of the Strongly Hydrolytic Arsenic(III)
Canaval LR, Lutz OMD, Weiss AKH, Huck CW, Hofer TS
Inorganic Chemistry, 53(22), 11861, 2014 |
| 8 |
Structure and Dynamics of Chromatographically Relevant Fe(III)-Chelates
Messner CB, Lutz OMD, Rainer M, Huck CW, Hofer TS, Rode BM, Bonn GK
Journal of Physical Chemistry B, 118(42), 12232, 2014 |
| 9 |
Synthesis and In Vitro Characterization of a Preactivated Thiomer via Polymerization Reaction
Solhi L, Schonbichler SA, Donnhaupt S, Barthelmes J, Friedl H, Huck CW, Bernkop-Schnurch A
Biomacromolecules, 13(10), 3054, 2012 |
| 10 |
Peptide mapping using capillary electrophoresis offline coupled to matrix-assisted laser desorption ionization time of flight mass spectrometry
Bachmann S, Bakry R, Huck CW, Polato F, Corradini D, Bonn GK
Electrophoresis, 32(20), 2830, 2011 |
