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Benchmarking Quantum Chemical Methods: Are We Heading in the Right Direction?

Angewandte Chemie (International ed.), 2017-09, Vol.56 (37), p.11011-11018

International ed. in English, 2017

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Chirality Recognition between Neutral Molecules in the Gas Phase

Angewandte Chemie (International ed.), 2008-09, Vol.47 (37), p.6970-6992

2008

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Femtisecond single-mole infrared spectroscopy of molecular clusters

Physical chemistry chemical physics : PCCP, 2013-01, Vol.15 (26), p.10702-10721

2013

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Quantifying Conformational Isomerism in Chain Molecules by Linear Raman Spectroscopy: The Case of Methyl Esters

Molecules (Basel, Switzerland), 2021-07, Vol.26 (15), p.4523

2021

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Halogens in Acetophenones Direct the Hydrogen Bond Docking Preference of Phenol via Stacking Interactions

Molecules (Basel, Switzerland), 2021-08, Vol.26 (16), p.4883

2021

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The Raman spectrum of isolated water clusters

Physical chemistry chemical physics : PCCP, 2014-06, Vol.16 (21), p.9849-9858

2014

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Experimental Reference Data for Hexafluorinated Propanol by Exploring an Unusual Intermolecular Torsional Balance

Angewandte Chemie International Edition, 2017-10, Vol.56 (41), p.12672-12676

International ed. in English, 2017

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Tipping the Scales: Spectroscopic Tools for Intermolecular Energy Balances

The journal of physical chemistry letters, 2017-11, Vol.8 (22), p.5656-5665

2017

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Three-dimensional docking of alcohols to ketones: an experimental benchmark based on acetophenone solvation energy balances

Physical chemistry chemical physics : PCCP, 2020-02, Vol.22 (5), p.287-2877

2020

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Raising the benchmark potential of a simple alcohol-ketone intermolecular balance

Physical chemistry chemical physics : PCCP, 2022-12, Vol.25 (1), p.384-391

2022

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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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Hydrogen sharing between two nitroxyl radicals in the gas phase and other microsolvation effects on the infrared spectrum of a bulky hydroxylamine

Physical chemistry chemical physics : PCCP, 2023-04, Vol.25 (16), p.11324-1133

2023

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Pinacolone-Alcohol Gas-Phase Solvation Balances as Experimental Dispersion Benchmarks

Molecules (Basel, Switzerland), 2020-11, Vol.25 (21), p.5095

2020

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Dispersion-controlled docking preference: multi-spectroscopic study on complexes of dibenzofuran with alcohols and water

Physical chemistry chemical physics : PCCP, 2019-07, Vol.21 (29), p.1632-1646

2019

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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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Hydrogen-bonded OH stretching modes of methanol clusters: A combined IR and Raman isotopomer study

The Journal of chemical physics, 2007-05, Vol.126 (19), p.194307-194307-18

2007

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Hydrogen Delocalization in an Asymmetric Biomolecule: The Curious Case of Alpha-Fenchol

Molecules (Basel, Switzerland), 2021-12, Vol.27 (1), p.101

2021

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Attaching Onto or Inserting Into an Intramolecular Hydrogen Bond: Exploring and Controlling a Chirality-Dependent Dilemma for Alcohols

Symmetry (Basel), 2022-02, Vol.14 (2), p.357

2022

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The OH stretching spectrum of warm water clusters

The Journal of chemical physics, 2014-02, Vol.140 (6), p.064312-064312

2014

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Ethanol Monomers and Dimers Revisited: A Raman Study of Conformational Preferences and Argon Nanocoating Effects

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2010-08, Vol.114 (32), p.8223-8233

2010

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Raman jet spectroscopy of formic acid dimers: low frequency vibrational dynamics and beyond

Physical chemistry chemical physics : PCCP, 2007-08, Vol.9 (32), p.4528-4534

2007

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Experimental and theoretical investigation of 2D nanoplatelet-based conversion layers for color LED microdisplays

Optics express, 2021-06, Vol.29 (13), p.20498-20513

2021

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Predicting OH stretching fundamental wavenumbers of alcohols for conformational assignment: different correction patterns for density functional and wave-function-based methods

Physical chemistry chemical physics : PCCP, 2021-03, Vol.23 (9), p.5629-5643

2021

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Communication: Where does the first water molecule go in imidazole?

The Journal of chemical physics, 2011-08, Vol.135 (6), p.061102-061102-4

2011

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Subtle hydrogen bonds: benchmarking with OH stretching fundamentals of vicinal diols in the gas phase

Physical chemistry chemical physics : PCCP, 2021-10, Vol.23 (38), p.21623-2164

2021

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Benchmarking Quantum Chemical Methods: Are We Heading in the Right Direction?

Chirality Recognition between Neutral Molecules in the Gas Phase

Femtisecond single-mole infrared spectroscopy of molecular clusters

Quantifying Conformational Isomerism in Chain Molecules by Linear Raman Spectroscopy: The Case of Methyl Esters

Halogens in Acetophenones Direct the Hydrogen Bond Docking Preference of Phenol via Stacking Interactions

The Raman spectrum of isolated water clusters

Experimental Reference Data for Hexafluorinated Propanol by Exploring an Unusual Intermolecular Torsional Balance

Tipping the Scales: Spectroscopic Tools for Intermolecular Energy Balances

Three-dimensional docking of alcohols to ketones: an experimental benchmark based on acetophenone solvation energy balances

Raising the benchmark potential of a simple alcohol-ketone intermolecular balance

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

Hydrogen sharing between two nitroxyl radicals in the gas phase and other microsolvation effects on the infrared spectrum of a bulky hydroxylamine

Pinacolone-Alcohol Gas-Phase Solvation Balances as Experimental Dispersion Benchmarks

Dispersion-controlled docking preference: multi-spectroscopic study on complexes of dibenzofuran with alcohols and water

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

Hydrogen-bonded OH stretching modes of methanol clusters: A combined IR and Raman isotopomer study

Hydrogen Delocalization in an Asymmetric Biomolecule: The Curious Case of Alpha-Fenchol

Attaching Onto or Inserting Into an Intramolecular Hydrogen Bond: Exploring and Controlling a Chirality-Dependent Dilemma for Alcohols

The OH stretching spectrum of warm water clusters

Ethanol Monomers and Dimers Revisited: A Raman Study of Conformational Preferences and Argon Nanocoating Effects

Raman jet spectroscopy of formic acid dimers: low frequency vibrational dynamics and beyond

Experimental and theoretical investigation of 2D nanoplatelet-based conversion layers for color LED microdisplays

Predicting OH stretching fundamental wavenumbers of alcohols for conformational assignment: different correction patterns for density functional and wave-function-based methods

Communication: Where does the first water molecule go in imidazole?

Subtle hydrogen bonds: benchmarking with OH stretching fundamentals of vicinal diols in the gas phase

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