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Vibrational Spectroscopy of Homo- and Heterochiral Amino Acid Dimers: Conformational Landscapes

Molecules (Basel, Switzerland), 2021-12, Vol.27 (1), p.38

2021

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Communication: Towards the binding energy and vibrational red shift of the simplest organic hydrogen bond: harmonic constraints for methanol dimer

The Journal of chemical physics, 2014-09, Vol.141 (10), p.101105-101105

2014

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From hydrogen bond donor to acceptor: the effect of ethanol fluorination on the first solvating water molecule

Physical chemistry chemical physics : PCCP, 2013-10, Vol.15 (38), p.16065-16073

2013

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Control over the Hydrogen-Bond Docking Site in Anisole by Ring Methylation

Angewandte Chemie (International ed.), 2016-01, Vol.55 (5), p.1921-1924

International ed. in English, 2016

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The rich conformational landscape of perillyl alcohol revealed by broadband rotational spectroscopy and theoretical modelling

Physical chemistry chemical physics : PCCP, 2019-07, Vol.21 (28), p.1548-15416

2019

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Molecular Docking via Olefinic OH···π Interactions: A Bulky Alkene Model System and Its Cooperativity

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2015-03, Vol.119 (9), p.1723-1730

2015

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Conformational dynamics of 1-phenyl-2,2,2-trifluoroethanol by rotational spectroscopy and ab initio calculations

Journal of molecular spectroscopy, 2018-09, Vol.351, p.62-67

2018

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To π or not to π--how does methanol dock onto anisole?

Physical chemistry chemical physics : PCCP, 2015-05, Vol.17 (19), p.13045-13052

2015

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Structural and energetic properties of protonated and sodiated asparagine probed by a new laboratory IRMPD spectrometer

Journal of molecular spectroscopy, 2018-10, Vol.352, p.36-44

2018

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Soft hydrogen bonds to alkenes: the methanol-ethene prototype under experimental and theoretical scrutiny

Chemical science (Cambridge), 2015-07, Vol.6 (7), p.3738-3745

2015

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To π or not to π - how does methanol dock onto anisole?Electronic supplementary information (ESI) available: Computed energetics and anharmonic constants of methanol-anisole, and binding energy of water-anisole. See DOI: 10.1039/c5cp01545f

2015-05

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A spectroscopic and ab initio study of the hydrogen peroxide-formic acid complex: hindering the internal motion of H 2 O 2

Physical chemistry chemical physics : PCCP, 2018-08, Vol.20 (33), p.21345-21351

2018

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A spectroscopic and ab initio study of the hydrogen peroxide–formic acid complex: hindering the internal motion of H2O2

Physical chemistry chemical physics : PCCP, 2018, Vol.20 (33), p.21345-21351

2018

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Comment on: "Quantum Confinement in Hydrogen Bond" by Carlos da Silva dos Santos, Elso Drigo Filho, and Regina Maria Ricotta, Int. J. Quantum Chem. 2015, 115, 765-770

International journal of quantum chemistry, 2015-10, Vol.115 (20), p.1510-1511

2015

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Aromatic embedding wins over classical hydrogen bonding - a multi-spectroscopic approach for the diphenyl ether-methanol complex

Physical chemistry chemical physics : PCCP, 2016, Vol.18 (37), p.25975-25983

2016

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Bracketing subtle conformational energy differences between self-solvated and stretched trifluoropropanol

Physical chemistry chemical physics : PCCP, 2015-04, Vol.17 (15), p.9899-9909

2015

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Bracketing subtle conformational energy differences between self-solvated and stretched trifluoropropanolElectronic supplementary information (ESI) available: Parameters of potential energy surface fit; band intensity ratios from Raman-jet experiments; harmonic vibrational frequencies from calculations and assignments of experimental bands for the two main conformers; and Raman jet spectra between 100 and 1600 cm−1. See DOI: 10.1039/c4cp05868b

2015-04

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Aromatic embedding wins over classical hydrogen bonding - a multi-spectroscopic approach for the diphenyl ether-methanol complexElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp03557d

2016-09

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Ringmethylierung kontrolliert die Wasserstoffbrücken-Andockstelle bei Anisol

Angewandte Chemie, 2016-01, Vol.128 (5), p.1955-1959

2016

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Diagonal and off-diagonal anharmonicity in hydrogen-bonded systems

Heger, Matthias

2016

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Ringmethylierung kontrolliert die Wasserstoffbrücken‐Andockstelle bei Anisol

Angewandte Chemie, 2016-01, Vol.128 (5), p.1955-1959

2016

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The loss from imperfect value functions in expectation-based and minimax-based tasks

Machine learning, 1996, Vol.22 (1-3), p.197-225

Heger, Matthias

1996

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Oraler Gesundheitszustand bei Patienten mit Alkohol-Suchterkrankungen : Mikrobiologische Verlaufsuntersuchung wahrend einer Entzugstherapie

Heger, Matthias

2000

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Consideration of Risk in Reinforcement Learning

Machine Learning Proceedings 1994, 1994, p.105-111

Heger, Matthias

1994

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The German Tradition of Organized Capitalism: Self-Government in the Coal Industry by Martin F. Parnell (Book Review)

German Politics, 1995, Vol.4 (2), p.192

Heger, Matthias

1995

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Vibrational Spectroscopy of Homo- and Heterochiral Amino Acid Dimers: Conformational Landscapes

Communication: Towards the binding energy and vibrational red shift of the simplest organic hydrogen bond: harmonic constraints for methanol dimer

From hydrogen bond donor to acceptor: the effect of ethanol fluorination on the first solvating water molecule

Control over the Hydrogen-Bond Docking Site in Anisole by Ring Methylation

The rich conformational landscape of perillyl alcohol revealed by broadband rotational spectroscopy and theoretical modelling

Molecular Docking via Olefinic OH···π Interactions: A Bulky Alkene Model System and Its Cooperativity

Conformational dynamics of 1-phenyl-2,2,2-trifluoroethanol by rotational spectroscopy and ab initio calculations

To π or not to π--how does methanol dock onto anisole?

Structural and energetic properties of protonated and sodiated asparagine probed by a new laboratory IRMPD spectrometer

Soft hydrogen bonds to alkenes: the methanol-ethene prototype under experimental and theoretical scrutiny

To π or not to π - how does methanol dock onto anisole?Electronic supplementary information (ESI) available: Computed energetics and anharmonic constants of methanol-anisole, and binding energy of water-anisole. See DOI: 10.1039/c5cp01545f

A spectroscopic and ab initio study of the hydrogen peroxide-formic acid complex: hindering the internal motion of H 2 O 2

A spectroscopic and ab initio study of the hydrogen peroxide–formic acid complex: hindering the internal motion of H2O2

Comment on: "Quantum Confinement in Hydrogen Bond" by Carlos da Silva dos Santos, Elso Drigo Filho, and Regina Maria Ricotta, Int. J. Quantum Chem. 2015, 115, 765-770

Aromatic embedding wins over classical hydrogen bonding - a multi-spectroscopic approach for the diphenyl ether-methanol complex

Bracketing subtle conformational energy differences between self-solvated and stretched trifluoropropanol

Aromatic embedding wins over classical hydrogen bonding - a multi-spectroscopic approach for the diphenyl ether-methanol complexElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp03557d

Ringmethylierung kontrolliert die Wasserstoffbrücken-Andockstelle bei Anisol

Diagonal and off-diagonal anharmonicity in hydrogen-bonded systems

Ringmethylierung kontrolliert die Wasserstoffbrücken‐Andockstelle bei Anisol

The loss from imperfect value functions in expectation-based and minimax-based tasks

Oraler Gesundheitszustand bei Patienten mit Alkohol-Suchterkrankungen : Mikrobiologische Verlaufsuntersuchung wahrend einer Entzugstherapie

Consideration of Risk in Reinforcement Learning

The German Tradition of Organized Capitalism: Self-Government in the Coal Industry by Martin F. Parnell (Book Review)

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