Prof. Dr. Martin Suhm

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  • 2022 | Journal Article | Research Paper | 
    ​ ​Attaching Onto or Inserting Into an Intramolecular Hydrogen Bond: Exploring and Controlling a Chirality-Dependent Dilemma for Alcohols​
    Lange, M.; Sennert, E. & Suhm, M. A. ​ (2022) 
    Symmetry, 14(2).​ DOI: https://doi.org/10.3390/sym14020357 
    ​Details  DOI 
  • 2022 | Journal Article | 
    ​ ​Setting up the HyDRA blind challenge for the microhydration of organic molecules​
    Fischer, T. L.; Bödecker, M.; Zehnacker-Rentien, A.; Mata, R. A.   & Suhm, M. A. ​ (2022) 
    Physical Chemistry, Chemical Physics, 24(19) pp. 11442​-11454​.​ DOI: https://doi.org/10.1039/D2CP01119K 
    ​Details  DOI 
  • 2022 | Journal Article | 
    ​ ​Hydrogen Delocalization in an Asymmetric Biomolecule: The Curious Case of Alpha-Fenchol​
    Medel, R.; Springborn, J. R.; Crittenden, D. L. & Suhm, M. A. ​ (2022) 
    Molecules, 27(1) pp. 101​.​ DOI: https://doi.org/10.3390/molecules27010101 
    ​Details  DOI 
  • 2021 | Journal Article
    ​ ​The Hydrates of TEMPO: Water Vibrations Reveal Radical Microsolvation​
    Brás, E. M.; Fischer, T. L. & Suhm, M. A. ​ (2021) 
    Angewandte Chemie International Edition, 60(35) pp. 19013​-19017​.​ DOI: https://doi.org/10.1002/anie.202104496 
    ​Details  DOI 
  • 2021 | Journal Article
    ​ ​A Rather Universal Vibrational Resonance in 1:1 Hydrates of Carbonyl Compounds​
    Fischer, T. L.; Wagner, T.; Gottschalk, H. C.; Nejad, A. & Suhm, M. A. ​ (2021) 
    The Journal of Physical Chemistry Letters, 12(1) pp. 138​-144​.​ DOI: https://doi.org/10.1021/acs.jpclett.0c03197 
    ​Details  DOI 
  • 2021 | Journal Article
    ​ ​Slow monomer vibrations in formic acid dimer: Stepping up the ladder with FTIR and Raman jet spectroscopy​
    Nejad, A.; Meyer, K. A. E. ; Kollipost, F.; Xue, Z. & Suhm, M. A. ​ (2021) 
    The Journal of Chemical Physics, 155(22) pp. 224301​.​ DOI: https://doi.org/10.1063/5.0075272 
    ​Details  DOI 
  • 2021 | Journal Article | Research Paper | 
    ​ ​Subtle hydrogen bonds: benchmarking with OH stretching fundamentals of vicinal diols in the gas phase​
    Hartwig, B. & Suhm, M. A. ​ (2021) 
    Physical Chemistry, Chemical Physics, 23(38) pp. 21623​-21640​.​ DOI: https://doi.org/10.1039/D1CP03367K 
    ​Details  DOI 
  • 2021 | Journal Article | Research Paper | 
    ​ ​Halogens in Acetophenones Direct the Hydrogen Bond Docking Preference of Phenol via Stacking Interactions​
    Zimmermann, C.; Lange, M. & Suhm, M. A. ​ (2021) 
    Molecules, 26(16) pp. 4883​.​ DOI: https://doi.org/10.3390/molecules26164883 
    ​Details  DOI 
  • 2021 | Journal Article | 
    ​ ​Predicting OH stretching fundamental wavenumbers of alcohols for conformational assignment: different correction patterns for density functional and wave-function-based methods​
    Medel, R. & Suhm, M. A. ​ (2021) 
    Physical Chemistry Chemical Physics, 23(9) pp. 5629​-5643​.​ DOI: https://doi.org/10.1039/D1CP00342A 
    ​Details  DOI 
  • 2021 | Journal Article | 
    ​ ​Quantifying Conformational Isomerism in Chain Molecules by Linear Raman Spectroscopy: The Case of Methyl Esters​
    Gawrilow, M. & Suhm, M. A. ​ (2021) 
    Molecules, 26(15) pp. 4523​.​ DOI: https://doi.org/10.3390/molecules26154523 
    ​Details  DOI 
  • 2021 | Journal Article | 
    ​ ​Rovibronic signatures of molecular aggregation in the gas phase: subtle homochirality trends in the dimer, trimer and tetramer of benzyl alcohol​
    Medel, R.; Camiruaga, A.; Saragi, R. T.; Pinacho, P.; Pérez, C.; Schnell, M. & Lesarri, A. et al.​ (2021) 
    Physical Chemistry Chemical Physics, 23(41) pp. 23610​-23624​.​ DOI: https://doi.org/10.1039/D1CP03508H 
    ​Details  DOI 
  • 2021 | Preprint | 
    ​ ​Setting up the HyDRA blind challenge for the microhydration of organic molecules​
    Fischer, T. L.; Bödecker, M.; Zehnacker-Rentien, A.; Mata, R. A.  & Suhm, M. A. ​ (2021). DOI: https://doi.org/10.26434/chemrxiv-2021-w8v42 
    ​Details  DOI 
  • 2020 | Journal Article
    ​ ​The first microsolvation step for furans: New experiments and benchmarking strategies​
    Gottschalk, H. C.; Poblotzki, A.; Fatima, M.; Obenchain, D. A. ; Pérez, C.; Antony, J. & Auer, A. A. et al.​ (2020) 
    The Journal of Chemical Physics, 152(16) pp. 164303​.​ DOI: https://doi.org/10.1063/5.0004465 
    ​Details  DOI  PMID  PMC 
  • 2020 | Journal Article
    ​ ​Understanding benzyl alcohol aggregation by chiral modification: the pairing step​
    Medel, R. & Suhm, M. A. ​ (2020) 
    Physical Chemistry Chemical Physics, 22(44) pp. 25538​-25551​.​ DOI: https://doi.org/10.1039/d0cp04825a 
    ​Details  DOI 
  • 2020 | Journal Article
    ​ ​Increasing the weights in the molecular work-out of cis - and trans -formic acid: extension of the vibrational database via deuteration​
    Nejad, A.; Suhm, M. A.   & Meyer, K. A. E. ​ (2020) 
    Physical Chemistry Chemical Physics, 22(44) pp. 25492​-25501​.​ DOI: https://doi.org/10.1039/d0cp04451b 
    ​Details  DOI 
  • 2020 | Journal Article
    ​ ​Glycolic Acid as a Vibrational Anharmonicity Benchmark​
    Nejad, A.; Meyer, E. & Suhm, M. A. ​ (2020) 
    The Journal of Physical Chemistry Letters, 11(13) pp. 5228​-5233​.​ DOI: https://doi.org/10.1021/acs.jpclett.0c01462 
    ​Details  DOI 
  • 2020 | Journal Article | 
    ​ ​Pinacolone-Alcohol Gas-Phase Solvation Balances as Experimental Dispersion Benchmarks​
    Zimmermann, C.; Fischer, T. L. & Suhm, M. A. ​ (2020) 
    Molecules, 25(21) pp. 5095​.​ DOI: https://doi.org/10.3390/molecules25215095 
    ​Details  DOI 
  • 2020 | Journal Article | 
    ​ ​Concerted Pair Motion Due to Double Hydrogen Bonding: The Formic Acid Dimer Case​
    Nejad, A. & Suhm, M. A. ​ (2020) 
    Journal of the Indian Institute of Science, 100(1) pp. 5​-19​.​ DOI: https://doi.org/10.1007/s41745-019-00137-5 
    ​Details  DOI 
  • 2020 | Journal Article | 
    ​ ​Three-dimensional docking of alcohols to ketones: an experimental benchmark based on acetophenone solvation energy balances​
    Zimmermann, C.; Gottschalk, H. C. & Suhm, M. A. ​ (2020) 
    Physical Chemistry, Chemical Physics, 22(5) pp. 2870​-2877​.​ DOI: https://doi.org/10.1039/C9CP06128B 
    ​Details  DOI 
  • 2020 | Journal Article | 
    ​ ​The reduced cohesion of homoconfigurational 1,2-diols​
    Hartwig, B.; Lange, M.; Poblotzki, A.; Medel, R.; Zehnacker, A. & Suhm, M. A. ​ (2020) 
    Physical Chemistry Chemical Physics, 22(3) pp. 1122​-1136​.​ DOI: https://doi.org/10.1039/c9cp04943f 
    ​Details  DOI 
  • 2020 | Journal Article | 
    ​ ​2-Methoxyethanol: harmonic tricks, anharmonic challenges and chirality-sensitive chain aggregation​
    Gawrilow, M. & Suhm, M. A. ​ (2020) 
    Physical Chemistry, Chemical Physics, 22(27) pp. 15303​-15311​.​ DOI: https://doi.org/10.1039/d0cp02488k 
    ​Details  DOI 
  • 2019 | Journal Article
    ​ ​The Chiral Trimer and a Metastable Chiral Dimer of Achiral Hexafluoroisopropanol: A Multi‐Messenger Study​
    Oswald, S.; Seifert, N. A.; Bohle, F.; Gawrilow, M.; Grimme, S.; Jäger, W. & Xu, Y. et al.​ (2019) 
    Angewandte Chemie. International Edition, 58(15) pp. 5080​-5084​.​ DOI: https://doi.org/10.1002/anie.201813881 
    ​Details  DOI 
  • 2019 | Journal Article
    ​ ​Vibrational Signatures of Chirality Recognition Between α‐Pinene and Alcohols for Theory Benchmarking​
    Medel, R.; Stelbrink, C. & Suhm, M. A. ​ (2019) 
    Angewandte Chemie. International Edition, 58(24) pp. 8177​-8181​.​ DOI: https://doi.org/10.1002/anie.201901687 
    ​Details  DOI 
  • 2019 | Journal Article | 
    ​ ​Stretching of cis-formic acid: warm-up and cool-down as molecular work-out​
    Meyer, K. A. E.   & Suhm, M. A. ​ (2019) 
    Chemical Science, 10(25) pp. 6285​-6294​.​ DOI: https://doi.org/10.1039/C9SC01555H 
    ​Details  DOI  PMID  PMC 
  • 2019 | Journal Article | 
    ​ ​Soft experimental constraints for soft interactions: a spectroscopic benchmark data set for weak and strong hydrogen bonds​
    Oswald, S. & Suhm, M. A. ​ (2019) 
    Physical Chemistry, Chemical Physics, 21(35) pp. 18799​-18810​.​ DOI: https://doi.org/10.1039/C9CP03651B 
    ​Details  DOI 
  • 2019 | Journal Article | 
    ​ ​Incremental NH stretching downshift through stepwise nitrogen complexation of pyrrole: a combined jet expansion and matrix isolation study​
    Oswald, S.; Suhm, M. A.   & Coussan, S.​ (2019) 
    Physical Chemistry, Chemical Physics, 21(3) pp. 1277​-1284​.​ DOI: https://doi.org/10.1039/C8CP07053A 
    ​Details  DOI 
  • 2019 | Journal Article | 
    ​ ​Strained hydrogen bonding in imidazole trimer: a combined infrared, Raman, and theory study​
    Forsting, T.; Zischang, J.; Suhm, M. A. ; Eckhoff, M.; Schröder, B.   & Mata, R. A. ​ (2019) 
    Physical Chemistry, Chemical Physics, 21(11) pp. 5989​-5998​.​ DOI: https://doi.org/10.1039/C9CP00399A 
    ​Details  DOI 
  • 2019 | Journal Article | 
    ​ ​Phenylacetylene as a gas phase sliding balance for solvating alcohols​
    Karir, G.; Lüttschwager, N. O. B.   & Suhm, M. A. ​ (2019) 
    Physical Chemistry, Chemical Physics, 21(15) pp. 7831​-7840​.​ DOI: https://doi.org/10.1039/C9CP00435A 
    ​Details  DOI 
  • 2019 | Journal Article | 
    ​ ​Dispersion-controlled docking preference: multi-spectroscopic study on complexes of dibenzofuran with alcohols and water​
    Bernhard, D.; Fatima, M.; Poblotzki, A.; Steber, A. L.; Pérez, C.; Suhm, M. A.   & Schnell, M.  et al.​ (2019) 
    Physical Chemistry, Chemical Physics, 21(29) pp. 16032​-16046​.​ DOI: https://doi.org/10.1039/C9CP02635E 
    ​Details  DOI 
  • 2018 | Journal Article
    ​ ​The furan microsolvation blind challenge for quantum chemical methods: First steps​
    Gottschalk, H. C.; Poblotzki, A.; Suhm, M. A. ; Al-Mogren, M. M.; Antony, J.; Auer, A. A. & Baptista, L. et al.​ (2018) 
    The Journal of Chemical Physics, 148(1) pp. 014301​.​ DOI: https://doi.org/10.1063/1.5009011 
    ​Details  DOI  PMID  PMC 
  • 2018 | Journal Article
    ​ ​Dinitrogen as a Sensor for Metastable Carboxylic Acid Dimers and a Weak Hydrogen Bond Benchmarking Tool​
    Oswald, S.; Meyer, E. & Suhm, M. A. ​ (2018) 
    The Journal of Physical Chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory, 122(11) pp. 2933​-2946​.​ DOI: https://doi.org/10.1021/acs.jpca.8b00334 
    ​Details  DOI 
  • 2018 | Journal Article | 
    ​ ​The phenyl vinyl ether–methanol complex: a model system for quantum chemistry benchmarking​
    Bernhard, D.; Dietrich, F.; Fatima, M.; Pérez, C.; Gottschalk, H. C.; Wuttke, A. & Mata, R. A.  et al.​ (2018) 
    Beilstein Journal of Organic Chemistry, 14 pp. 1642​-1654​.​ DOI: https://doi.org/10.3762/bjoc.14.140 
    ​Details  DOI  PMID  PMC 
  • 2018 | Journal Article
    ​ ​Vibrational exciton coupling in homo and hetero dimers of carboxylic acids studied by linear infrared and Raman jet spectroscopy​
    Meyer, K. A. E.   & Suhm, M. A. ​ (2018) 
    The Journal of Chemical Physics, 149(10) art. 104307​.​ DOI: https://doi.org/10.1063/1.5043400 
    ​Details  DOI  PMID  PMC 
  • 2017 | Journal Article
    ​ ​Quantenchemische Methoden im Leistungsvergleich: Stimmt die Richtung noch?​
    Mata, R. A.   & Suhm, M. A. ​ (2017) 
    Angewandte Chemie, 129(37) pp. 11155​-11163​.​ DOI: https://doi.org/10.1002/ange.201611308 
    ​Details  DOI 
  • 2017 | Journal Article
    ​ ​Tipping the Scales: Spectroscopic Tools for Intermolecular Energy Balances​
    Poblotzki, A.; Gottschalk, H. C. & Suhm, M. A. ​ (2017) 
    The Journal of Physical Chemistry Letters, 8(22) pp. 5656​-5665​.​ DOI: https://doi.org/10.1021/acs.jpclett.7b02337 
    ​Details  DOI 
  • 2017 | Journal Article
    ​ ​Experimental Reference Data for Hexafluorinated Propanol by Exploring an Unusual Intermolecular Torsional Balance​
    Oswald, S. & Suhm, M. A. ​ (2017) 
    Angewandte Chemie. International Edition, 56(41) pp. 12672​-12676​.​ DOI: https://doi.org/10.1002/anie.201705301 
    ​Details  DOI 
  • 2017 | Journal Article
    ​ ​Polymer Segments at the Folding Limit: Raman Scattering for the Diglyme Benchmark​
    Bocklitz, S. & Suhm, M. A. ​ (2017) 
    ChemPhysChem, 18(24) pp. 3570​-3575​.​ DOI: https://doi.org/10.1002/cphc.201701169 
    ​Details  DOI 
  • 2017 | Journal Article | 
    ​ ​Identifying the first folded alkylbenzene via ultraviolet, infrared, and Raman spectroscopy of pentylbenzene through decylbenzene​
    Hewett, D. M.; Bocklitz, S.; Tabor, D. P.; Sibert III, E. L.; Suhm, M. A.   & Zwier, T. S.​ (2017) 
    Chemical Science, 8(8) pp. 5305​-5318​.​ DOI: https://doi.org/10.1039/C7SC02027A 
    ​Details  DOI 
  • 2017 | Journal Article | 
    ​ ​Multi-spectroscopic and theoretical analyses on the diphenyl ether–tert-butyl alcohol complex in the electronic ground and electronically excited state​
    Bernhard, D.; Dietrich, F.; Fatima, M.; Perez, C.; Poblotzki, A.; Jansen, G. & Suhm, M. A.  et al.​ (2017) 
    Physical Chemistry, Chemical Physics, 19(27) pp. 18076​-18088​.​ DOI: https://doi.org/10.1039/C7CP02967E 
    ​Details  DOI 
  • 2017 | Journal Article
    ​ ​Formic acid aggregation in 2D supersonic expansions probed by FTIR imaging​
    Meyer, K. A. E.   & Suhm, M. A. ​ (2017) 
    The Journal of Chemical Physics, 147(14) art. 144305​.​ DOI: https://doi.org/10.1063/1.4989544 
    ​Details  DOI  PMID  PMC 
  • 2017 | Journal Article | 
    ​ ​Benchmarking Quantum Chemical Methods: Are We Heading in the Right Direction?​
    Mata, R. A.   & Suhm, M. A. ​ (2017) 
    Angewandte Chemie. International Edition, 56(37) pp. 11011​-11018​.​ DOI: https://doi.org/10.1002/anie.201611308 
    ​Details  DOI  PMID  PMC 
  • 2015 | Journal Article | 
    ​ ​Bracketing subtle conformational energy differences between self-solvated and stretched trifluoropropanol.​
    Heger, M.; Otto, K. E.; Mata, R. A.   & Suhm, M. A. ​ (2015) 
    Physical Chemistry, Chemical Physics, 17(15) pp. 9899​-9909​.​ DOI: https://doi.org/10.1039/c4cp05868b 
    ​Details  DOI  PMID  PMC  WoS 
  • 2015 | Journal Article | Research Paper | 
    ​ ​To π or not to π – how does methanol dock onto anisole?​
    Heger, M.; Suhm, M. A. ; Altnöder, J. & Poblotzki, A.​ (2015) 
    Physical Chemistry, Chemical Physics, 17(19) pp. 13045​-13052​.​ DOI: https://doi.org/10.1039/C5CP01545F 
    ​Details  DOI 
  • 2014 | Journal Article | 
    ​ ​The elastic modulus of isolated polytetrafluoroethylene filaments​
    Drawe, P.; Lüttschwager, N.   & Suhm, M. ​ (2014) 
    ScienceOpen Research,.​ DOI: https://doi.org/10.14293/S2199-1006.1.SOR-MATSCI.AKA0J6.v2 
    ​Details  DOI 
  • 2014 | Journal Article | 
    ​ ​Stretching and folding of 2-nanometer hydrocarbon rods​
    Lüttschwager, N. O. B.   & Suhm, M. A. ​ (2014) 
    Soft Matter, 10(27) art. Advance Article​.​ DOI: https://doi.org/10.1039/c4sm00508b 
    ​Details  DOI  PMID  PMC  WoS 
  • 2013 | Journal Article | Research Paper | 
    ​ ​The last globally stable extended alkane​
    Luettschwager, N. O. B. ; Wassermann, T. N.; Mata, R. A.   & Suhm, M. A. ​ (2013) 
    Angewandte Chemie. International Edition, 52(1) pp. 463-6​-466​.​ DOI: https://doi.org/10.1002/anie.201202894 
    ​Details  DOI  PMID  PMC 
  • 2009 | Journal Article
    ​ ​Suppressed Particle Formation by Kinetically Controlled Ozone Removal: Revealing the Role of Transient-Species Chemistry during Alkene Ozonolysis​
    Wolf, J.; Suhm, M.   & Zeuch, T.​ (2009) 
    Angewandte Chemie. International Edition, 48(12) pp. 2231​-2235​.​ DOI: https://doi.org/10.1002/anie.200805189 
    ​Details  DOI 
  • 2007 | Journal Article | Research Paper
    ​ ​Spectroscopic probes of molecular recognition​
    Suhm, M. A. ​ (2007) 
    Physical Chemistry, Chemical Physics, 9(32) pp. 4443​-4443​.​ DOI: https://doi.org/10.1039/b711142h 
    ​Details  DOI 
  • 2007 | Journal Article
    ​ ​High Resolution FTIR and Diode Laser Supersonic Jet Spectroscopy of the N = 2 HF Stretching Polyad in (HF) 2 and (HFDF): Hydrogen Bond Switching and Predissociation Dynamics​
    He, Y.; Müller, H. B.; Quack, M. & Suhm, M. A. ​ (2007) 
    Zeitschrift für physikalische Chemie, 221(11-12) pp. 1581​-1645​.​ DOI: https://doi.org/10.1524/zpch.2007.221.11-12.1581 
    ​Details  DOI 
  • 2007 | Journal Article
    ​ ​A peptide co-solvent under scrutiny: self-aggregation of 2,2,2-trifluoroethanol​
    Scharge, T.; Cézard, C.; Zielke, P.; Emmeluth, C.; Suhm, M. A.   & Schuetz, A.​ (2007) 
    Physical Chemistry, Chemical Physics, 9(32) pp. 4472​-4490​.​ DOI: https://doi.org/10.1039/b705498j 
    ​Details  DOI  PMID  PMC  WoS 
  • 2004 | Journal Article
    ​ ​The performance of the semi-empirical AM1 method on small and nanometre-sized N2O clusters​
    Häber, T.; Kevorkiants, R.; Thiel, W. & Suhm, M. A. ​ (2004) 
    Physical Chemistry Chemical Physics, 6(21) pp. 4939​-4949​.​ DOI: https://doi.org/10.1039/b409258a 
    ​Details  DOI  WoS 
  • 2004 | Journal Article
    ​ ​Torsional isomers in methylated aminoethanols - A jet-FT-IR study​
    Liu, Y. Q.; Rice, C. A. & Suhm, M. A. ​ (2004) 
    Canadian Journal of Chemistry, 82(6) pp. 1006​-1012​.​ DOI: https://doi.org/10.1139/v04-046 
    ​Details  DOI  WoS 
  • 2004 | Journal Article
    ​ ​Hybrid diatomics-in-molecules-based quantum mechanical/molecular mechanical approach applied to the modeling of structures and spectra of mixed molecular clusters Ar-n(HCl)(m) and Ar-n(HF)(m)​
    Bochenkova, A. V.; Suhm, M. A. ; Granovsky, A. A. & Nemukhin, A. V.​ (2004) 
    The Journal of Chemical Physics, 120(8) pp. 3732​-3743​.​ DOI: https://doi.org/10.1063/1.1642596 
    ​Details  DOI  PMID  PMC  WoS 
  • 2003 | Journal Article
    ​ ​Spectroscopic characterization of N2O aggregates: from clusters to the particulate state​
    Bauerecker, S.; Signorell, R.; Kunzmann, M. K. & Suhm, M. A. ​ (2003) 
    Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy, 59(12) pp. 2855​-2865​.​ DOI: https://doi.org/10.1016/S1386-1425(03)00084-2 
    ​Details  DOI  PMID  PMC  WoS 
  • 2001 | Journal Article
    ​ ​Hydrogen bonded rings, chains and lassos: the case of t-butyl alcohol clusters​
    Zimmermann, D.; Haber, T.; Schaal, H. & Suhm, M. A. ​ (2001) 
    Molecular Physics, 99(5) pp. 413​-425​.​ DOI: https://doi.org/10.1080/00268970010017009 
    ​Details  DOI  WoS 
  • 2001 | Journal Article
    ​ ​Spectroscopic characterization of molecular nanoparticles produced in an electrospray​
    Signorell, R. & Suhm, M. A. ​ (2001) 
    Journal of Aerosol Science, 32 pp. 209​-242​.​ DOI: https://doi.org/10.1016/S0021-8502(01)00092-1 
    ​Details  DOI 
  • 1999 | Journal Article
    ​ ​A new six-dimensional analytical potential up to chemically significant energies for the electronic ground state of hydrogen peroxide​
    Kuhn, B.; Rizzo, T. R.; Luckhaus, D.; Quack, M. & Suhm, M. A. ​ (1999) 
    The Journal of Chemical Physics, 111(6) pp. 2565​-2587​.​ DOI: https://doi.org/10.1063/1.479534 
    ​Details  DOI 
  • 1998 | Journal Article
    ​ ​HF dimer: Empirically refined analytical potential energy and dipole hypersurfaces from ab initio calculations​
    Klopper, W.; Quack, M. & Suhm, M. A. ​ (1998) 
    The Journal of Chemical Physics, 108(24) pp. 10096​-10115​.​ DOI: https://doi.org/10.1063/1.476470 
    ​Details  DOI 
  • 1998 | Journal Article
    ​ ​Explicitly correlated coupled cluster calculations of the dissociation energies and barriers to concerted hydrogen exchange of (HF)n oligomers (n=2,3,4,5)​
    Klopper, W.; Quack, M. & Suhm, M. A. ​ (1998) 
    Molecular Physics, 94(1) pp. 105​-119​.​ DOI: https://doi.org/10.1080/002689798168394 
    ​Details  DOI 
  • 1997 | Book Chapter
    ​ ​Potential Energy Hypersurfaces for Hydrogen Bonded Clusters (HF) n​
    Quack, M.& Suhm, M. A. ​ (1997)
    In:​Calais, Jean-Louis; Kryachko, Eugene​ (Eds.), Conceptual Perspectives in Quantum Chemistry pp. 415​-463. ​Springer Dordrecht. DOI: https://doi.org/10.1007/978-94-011-5572-4_12 
    ​Details  DOI 
  • 1997 | Journal Article
    ​ ​A critical analysis of electronic density functionals for structural, energetic, dynamic, and magnetic properties of hydrogen fluoride clusters​
    Maerker, C.; Schleyer, P. V. R.; Liedl, K. R.; Ha, T.-K.; Quack, M. & Suhm, M. A. ​ (1997) 
    Journal of Computational Chemistry, 18(14) pp. 1695​-1719​.​ DOI: https://doi.org/10.1002/(SICI)1096-987X(19971115)18:14<1695::AID-JCC1>3.0.CO;2-F 
    ​Details  DOI 
  • 1997 | Journal Article
    ​ ​FTIR spectroscopy of hydrogen fluoride clusters in synchronously pulsed supersonic jets. Isotopic isolation, substitution and 3-d condensation​
    Quack, M.; Schmitt, U. & Suhm, M. A. ​ (1997) 
    Chemical Physics Letters, 269(1-2) pp. 29​-38​.​ DOI: https://doi.org/10.1016/S0009-2614(97)00203-0 
    ​Details  DOI 
  • 1997 | Journal Article
    ​ ​Hydrogen fluoride clusters: from rings to nanocrystals​
    Quack, M.; Schmitt, U. & Suhm, M. A. ​ (1997) 
    Journal of Aerosol Science, 28 pp. S363​-S364​.​ DOI: https://doi.org/10.1016/S0021-8502(97)85182-8 
    ​Details  DOI 
  • 1996 | Journal Article
    ​ ​The permanentectric dipole moment of CH2D2: FIR el spectroscopy​
    Signorell, R.; Marquardt, R.; Quack, M. & Suhm, M. A. ​ (1996) 
    Molecular Physics, 89(1) pp. 297​-313​.​ DOI: https://doi.org/10.1080/002689796174146 
    ​Details  DOI 
  • 1996 | Journal Article
    ​ ​On hydrogen-bonded complexes: the case of (HF)2​
    Quack, M. & Suhm, M. A. ​ (1996) 
    Theoretica Chimica Acta, 93(2) pp. 61​-65​.​ DOI: https://doi.org/10.1007/BF01113547 
    ​Details  DOI 
  • 1996 | Journal Article
    ​ ​Breaking symmetry with hydrogen bonds: Vibrational predissociation and isomerization dynamics in HF–DF and DF–HF isotopomers​
    Farrell, J. T.; Suhm, M. A.   & Nesbitt, D. J.​ (1996) 
    The Journal of Chemical Physics, 104(23) pp. 9313​-9331​.​ DOI: https://doi.org/10.1063/1.471677 
    ​Details  DOI 
  • 1996 | Journal Article
    ​ ​A new ab initio based six-dimensional semi-empirical pair interaction potential for HF​
    Klopper, W.; Quack, M. & Suhm, M. A. ​ (1996) 
    Chemical Physics Letters, 261(1-2) pp. 35​-44​.​ DOI: https://doi.org/10.1016/0009-2614(96)00901-3 
    ​Details  DOI 
  • 1995 | Journal Article
    ​ ​On FTIR Spectroscopy in Asynchronously Pulsed Supersonic Free Jet Expansions and on the Interpretation of Stretching Spectra of HF Clusters​
    Luckhaus, D.; Quack, M.; Schmitt, U. & Suhm, M. A. ​ (1995) 
    Berichte der Bunsengesellschaft für physikalische Chemie, 99(3) pp. 457​-468​.​ DOI: https://doi.org/10.1002/bbpc.19950990333 
    ​Details  DOI 
  • 1995 | Journal Article
    ​ ​Dipole Moment Function of Methane and Analytical Anharmonic, 9-dimensional Potential Surface: Theory and Experiment for the Permanent Electric Dipole Moment of CH 2 D 2 Using Quantum Monte Carlo Calculations and FIR Spectroscopy​
    Hollenstein, H.; Marquardt, R. R.; Quack, M. & Suhm, M. A. ​ (1995) 
    Berichte der Bunsengesellschaft für physikalische Chemie, 99(3) pp. 275​-281​.​ DOI: https://doi.org/10.1002/bbpc.19950990307 
    ​Details  DOI 
  • 1995 | Journal Article
    ​ ​Potential surfaces and dynamic of weakly bound trimers: perspectives from high resolution IR spectroscopy​
    Suhm, M. A.   & Nesbitt, D. J.​ (1995) 
    Chemical Society Reviews, 24(1) pp. 45​.​ DOI: https://doi.org/10.1039/cs9952400045 
    ​Details  DOI 
  • 1995 | Journal Article
    ​ ​HF Vapor​
    Suhm, M. A. ​ (1995) 
    Berichte der Bunsengesellschaft für physikalische Chemie, 99(10) pp. 1159​-1167​.​ DOI: https://doi.org/10.1002/bbpc.199500055 
    ​Details  DOI 
  • 1995 | Journal Article | Research Paper
    ​ ​Accurate quantum Monte Carlo calculations of the tunneling splitting in (HF)2 on a six-dimensional potential hypersurface​
    Quack, M. & Suhm, M. A. ​ (1995) 
    Chemical Physics Letters, 234(1-3) pp. 71​-76​.​ DOI: https://doi.org/10.1016/0009-2614(94)01405-K 
    ​Details  DOI 
  • 1994 | Journal Article | Research Paper
    ​ ​Dipole moment function and equilibrium structure of methane in an analytical, anharmonic nine‐dimensional potential surface related to experimental rotational constants and transition moments by quantum Monte Carlo calculations​
    Hollenstein, H.; Marquardt, R. R.; Quack, M. & Suhm, M. A. ​ (1994) 
    The Journal of Chemical Physics, 101(5) pp. 3588​-3602​.​ DOI: https://doi.org/10.1063/1.467544 
    ​Details  DOI 
  • 1994 | Journal Article
    ​ ​Reliable determination of multidimensional analytical fitting bias​
    Suhm, M. A. ​ (1994) 
    Chemical Physics Letters, 223(5-6) pp. 474​-480​.​ DOI: https://doi.org/10.1016/0009-2614(94)00483-8 
    ​Details  DOI 
  • 1993 | Journal Article
    ​ ​High‐resolution infrared spectroscopy of DF trimer: A cyclic ground state structure and DF stretch induced intramolecular vibrational coupling​
    Suhm, M. A. ; Farrell, J. T.; Ashworth, S. H. & Nesbitt, D. J.​ (1993) 
    The Journal of Chemical Physics, 98(7) pp. 5985​-5989​.​ DOI: https://doi.org/10.1063/1.464860 
    ​Details  DOI 
  • 1993 | Journal Article
    ​ ​Evidence for the (HF) 5 complex in the HF stretching FTIR absorption spectra of pulsed and continuous supersonic jet expansions of hydrogen fluoride​
    Quack, M.; Schmitt, U. & Suhm, M. A. ​ (1993) 
    Chemical Physics Letters, 208(5-6) pp. 446​-452​.​ DOI: https://doi.org/10.1016/0009-2614(93)87171-X 
    ​Details  DOI 
  • 1993 | Journal Article
    ​ ​Multidimensional vibrational quantum Monte Carlo technique using robust interpolation from static or growing sets of discrete potential energy points​
    Suhm, M. A. ​ (1993) 
    Chemical Physics Letters, 214(3-4) pp. 373​-380​.​ DOI: https://doi.org/10.1016/0009-2614(93)85653-6 
    ​Details  DOI 
  • 1993 | Journal Article
    ​ ​Vibrational dynamics of (HF)n aggregates from an ab initio based analytical (1+2+3)-body potential​
    Quack, M.; Stohner, J. & Suhm, M. A. ​ (1993) 
    Journal of Molecular Structure, 294 pp. 33​-36​.​ DOI: https://doi.org/10.1016/0022-2860(93)80308-I 
    ​Details  DOI 
  • 1992 | Journal Article | Research Paper
    ​ ​High resolution 1.3 μm overtone spectroscopy of HF dimer in a slit jet: K a =0←0 and K a =1←0 subbands of v acc =2←0​
    Suhm, M. A. ; Farrell, J. T.; McIlroy, A. & Nesbitt, D. J.​ (1992) 
    The Journal of Chemical Physics, 97(8) pp. 5341​-5354​.​ DOI: https://doi.org/10.1063/1.463794 
    ​Details  DOI 
  • 1991 | Journal Article
    ​ ​Parameterized dipole moment function for the water molecule​
    Suhm, M. A.   & Watts, R. O.​ (1991) 
    Molecular Physics, 73(2) pp. 463​-469​.​ DOI: https://doi.org/10.1080/00268979100101311 
    ​Details  DOI 
  • 1991 | Journal Article
    ​ ​Potential energy surfaces, quasiadiabatic channels, rovibrational spectra, and intramolecular dynamics of (HF) 2 and its isotopomers from quantum Monte Carlo calculations​
    Quack, M. & Suhm, M. A. ​ (1991) 
    The Journal of Chemical Physics, 95(1) pp. 28​-59​.​ DOI: https://doi.org/10.1063/1.461486 
    ​Details  DOI 
  • 1991 | Journal Article
    ​ ​Quasiadiabatic channels and effective transition-state barriers for the disrotatory in-plane hydrogen-bond exchange motion in (HF)2​
    Quack, M. & Suhm, M. A. ​ (1991) 
    Chemical Physics Letters, 183(3-4) pp. 187​-194​.​ DOI: https://doi.org/10.1016/0009-2614(91)80048-3 
    ​Details  DOI 
  • 1991 | Journal Article
    ​ ​Anisotropic molecular reorientation of liquid benzene revisited. A study using 13 C magnetic relaxation through chemical shift anisotropy and spin rotation​
    Dölle, A.; Suhm, M. A.   & Weingärtner, H.​ (1991) 
    The Journal of Chemical Physics, 94(5) pp. 3361​-3365​.​ DOI: https://doi.org/10.1063/1.459759 
    ​Details  DOI 
  • 1991 | Journal Article
    ​ ​Quantum Monte Carlo studies of vibrational states in molecules and clusters​
    Suhm, M. A.   & Watts, R. O.​ (1991) 
    Physics Reports, 204(4) pp. 293​-329​.​ DOI: https://doi.org/10.1016/0370-1573(91)90136-A 
    ​Details  DOI 
  • 1990 | Journal Article | Research Paper
    ​ ​Observation and assignment of the hydrogen-bond exchange disrotatory inplane bending vibration-NU-5 IN (HF)2​
    Quack, M. & Suhm, M. A. ​ (1990) 
    Chemical Physics Letters, 171(5-6) pp. 517​-524​.​ DOI: https://doi.org/10.1016/0009-2614(90)85256-C 
    ​Details  DOI 
  • 1990 | Journal Article
    ​ ​Potential energy surface and energy levels of (HF) 2 and its D isotopomers​
    Quack, M. & Suhm, M. A. ​ (1990) 
    Molecular Physics, 69(4) pp. 791​-801​.​ DOI: https://doi.org/10.1080/00268979000100601 
    ​Details  DOI 
  • 1989 | Journal Article
    ​ ​Anisotropic molecular reorientation of hexafluorobenzene in binary liquid mixtures with benzene and cyclohexane. A nuclear magnetic relaxation study​
    Suhm, M. A.   & Weingärtner, H.​ (1989) 
    Chemical Physics Letters, 159(2-3) pp. 193​-198​.​ DOI: https://doi.org/10.1016/0009-2614(89)87408-1 
    ​Details  DOI 
  • 1989 | Journal Article
    ​ ​Infrared spectrum and dynamics of the hydrogen bonded dimer (HF)2​
    von Puttkamer, K.; Quack, M. & Suhm, M. A. ​ (1989) 
    Infrared Physics, 29(2-4) pp. 535​-539​.​ DOI: https://doi.org/10.1016/0020-0891(89)90096-1 
    ​Details  DOI 
  • 1988 | Journal Article
    ​ ​Observation and assignment of tunnelling-rotational transitions in the far infrared spectrum of (HF) 2​
    Von Puttkamer, K.; Quack, M. & Suhm, M. A. ​ (1988) 
    Molecular Physics, 65(5) pp. 1025​-1045​.​ DOI: https://doi.org/10.1080/00268978800101581 
    ​Details  DOI 
  • 1987 | Journal Article
    ​ ​A Nuclear Magnetic Relaxation Study of the Structure of Binary Liquid Mixtures of Hexafluorobenzene with Benzene and Cyclohexane​
    Suhm, M. A. ; Müller, K. J. & Weingärtner, H.​ (1987) 
    Zeitschrift für physikalische Chemie, 155(1-2) pp. 101​-119​.​ DOI: https://doi.org/10.1524/zpch.1987.155.Part_1_2.101 
    ​Details  DOI 

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