The papers below are relevant to the MRR technique. For surveys of the science behind MRR, see the articles in green.  Articles recently added here are marked new.

2022

• new “Enantioselective synthesis of enantioisotopomers with quantitative chiral analysis by chiral tag rotational spectroscopy” | Mitchell D. Mills*, Reilly E. Sonstrom*, Zoua Pa Vang*, Justin L. Neill, Haley N. Scolati, Channing T. West, Brooks H. Pate, and Joseph R. Clark | Angew. Chem. Int. Ed. 2022, 61, e202207275.
• new “High Information Spectroscopic Detection Techniques for Gas Chromatograpy” | Saba Aslani and Daniel W. Armstrong | J. Chromat. A 2022, 1676, 463255.
• “Chiral analysis of linalool, an important natural fragrance and flavor compound, by molecular rotational resonance spectroscopy” | Reilly E. Sonstrom, Donald M. Cannon, and Justin L. Neill | Symmetry 2022, 14, 917.
• “Chirality-puckering correlation and intermolecular interactions in spingosines: Rotational spectroscopy of jaspine B3 and its monohyrdrate” | Rizalina T. Saragi, Marcos Juanes, Jose L. Abad, Ruth Pinacho, Jose E. Rubio, and Alberto Lesarri | Spectrochim. Acta A 2022, 267, 120531.
• “Uniform supersonic flow sampling for detection by chirped-pulse rotational spectroscopy” | Ranil M. Gurusinghe, Nureshan Dias, Ritter Kreuger, and Arthur G. Suits | J. Chem. Phys. 2022, 156, 014202.
• “The conformational landscape of myrtenol: The structure of the hydroxymethyl group and its robustness upon hydration” | E.M. neeman, N. Osseiran, and T.R. Huet | J. Chem. Phys. 2022, 156, 124301.
• “Unleashing the shape of L-DOPA at last” | Miguel Sanz-Novo, Iker Leon, Elena R. Alonso, and Jose L. Alonso | Phys. Chem. Chem. Phys. 2022, 24, 3546-3554.
• “Chiral Analysis of Pantolactone with Molecular Rotational Resonance Spectroscopy” | Reilly E. Sonstrom, Justin L. Neill, Alexander V. Mikhonin, Reinhard Doetzer, and Brooks H. Pate | Chirality 2022, 34, 114-125.

2021

• “Enhancing Sensitivity for High-Selectivity Gas Chromatography-Molecular Rotational Resonance Spectroscopy” | M. Farooq Wahab, Saba Aslani, Alexander V. Mikhoin, Justin L. Neill, and Daniel W. Armstrong | Anal. Chem. 2021, 2021, 93, 15525-15533.
• “s-Hole Activation and Structural Changes Upon Perfluorination of Aryl Halides: Direct Evidence from Gas Phase Rotational Spectroscopy” | Dingding Lv, Assimo Maris, Luca Evangelisti, Andrew Maggio, Wentao Song, Ashley A. Elliott, Sean A. Peebles, Justin L. Neill, Matt T. Muckle, Brooks H. Pate, Rebecca A. Peebles, and Sonia Melandri | Phys. Chem. Chem. Phys. 2021, 23, 18093-18101.
• “Disentangling the Complex Network of Non-covalent Interactions in Fenchone Hydrates via Rotational Spectroscopy and Quantum Chemistry” | Mhamad Chrayteh, Ecaterina Burevschi, Donatella Loru, Therese R. Huet, Pascal Drean, and M. Eugenia Sanz | Phys. Chem. Chem. Phys. 2021, 23, 20686-20694.
• “The Gas-Phase Microwave Spectrum of Sabinene Revisited Reveals New Structural Parameters” | Mhamad Chrayteh, Therese R. Huet, and Pascal Drean | J. Mol. Struct. 2021, 1240, 130515.
• “Straining to Put the Pieces Together: The Molecular Structure of (E)-1-Chloro-1,2-Difluoroethylene–Acetylene from Microwave Spectroscopy” | Helen O. Leung, Mark D. Marshall, and Eli Mlaver | J. Phys. Chem. A 2021, 125, 6722-6730.
• “Microwave Study of Triflic Acid Hydrates: Evidence for the Transition from Hydrogen-Bonded Clusters to a Microsolvated Ion Pair” | Anna K. Huff, Nathan Love, and Kenneth R. Leopold | J. Phys. Chem. A. 2021, 125, 8033-8046.
• “How does the Composition of a PAH Influence Its Microsolvation? A Rotational Spectroscopy Study of the Phenanthrene-Water and Phenanthridine-Water Clusters” | Donatella Loru, Amanda L. Steber, Pablo Pinacho, Sebastien Gruet, Berhane Temelso, Anouk M. Rijs, Cristobal Perez, and Melanie Schnell | Phys. Chem. Chem. Phys. 2021, 23, 9721-9732.
• “Unlocking the Water Trimer Loop: Isotopic Study of Benzophenone-(H2O)1-3 Clusters with Rotational Spectroscopy” | Weixing Li, Maria Mar Quesada-Moreno, Pablo Pinacho, and Melanie Schnell | Angew. Chem. Int. Ed. 2021, 60, 5323-5330.
• “The Structure of Isolated Thalidomide as Reference for its Chirality-Dependent Biological Activity: A Laser-Ablation Rotational Study” | Susana Blanco, Alberto Macario, Juan Carlos Lopez | Phys. Chem. Chem. Phys. 2021, 23, 13705-13713.
• “Conformational Dynamics of Perfluorooctanoic Acid (PFOA) Studied with Molecular Rotational Resonance (MRR) Spectroscopy” | Rebekah N. Schilberg, Suying Wei, Sylvestre Twagirayezu, Justin L. Neill | Chem. Phys. Lett. 2021, 778, 138789.
• “Copper-Catalyzed Transfer Hydrodeuteration of Aryl Alkenes with Quantitative Isotopomer Purity Analysis by Molecular Rotational Resonance Spectroscopy” | Zoua Pa Vang, Albert Reyes, Reilly E. Sonstrom, Martin S. Holdren, Samantha E. Sloane, Isabella Y. Alansari, Justin L. Neill, Brooks H. Pate, Joseph R. Clark | J. Am. Chem. Soc. 2021, 143, 7707-7718.
• “Facilitating Interstellar Searches for Simple Amino Alcohols with Accurate Rest Frequency into the Millimeter-wave Regime: Alaninol, Valinol, and Leucinol” | Benjamin E. Arenas, Mariyam Fatima, Cristobal Perez, Sophie Fischer, Amanda L. Steber, Melanie Schnell | Astrophys. J. 2021, 912, 90.
• “Exploring the Maze of Cycloserine Conformers in the Gas Phase Guided by Microwave Spectroscopy and Quantum Chemistry” | Elena R. Olonso, Marco Fuse, Iker Leon, Cristina Puzzarini, Jose L. Alonso, Vincenzo Barone | J. Phys. Chem. A 2021, 125, 2121-2129.
• “Detecting combustion intermediates via broadband chirped-pulse microwave spectroscopy” | Sean M. Fritz, Piyush Mishra, Julia Wullenkord, Paul G. Fugazzi, Katharina Kohse-Hoinghaus, Timothy S. Zwier, Nils Hansen | Proc. Combust. Inst. 2021, 38, 1761-1769.
• “Switching Hydrogen Bonding to pi-Stacking: The Thiophenol Dimer and Trimer” | Rizalina Tama Saragi, Marcos Juanes, Cristobal Perez, Pablo Pinacho, Denis S. Tikhonov, Walther Caminati, Melanie Schnell, Alberto Lesarri | J. Phys. Chem. Lett. 2021, 12, 1367-1373.
• “Substitution Reactions in the Pyrolysis of Acetone Revealed through a Modeling, Experiment, Theory Paradigm”  | Daniel P. Zaleski, Raghu Sivaramakrishnan, Hailey R. Weller, Nathan A. Seifert, David H. Bross, Branko Ruscic, Kevin B. Moore III, Sarah N. Elliott, Andreas V. Copan, Lawrence B. Harding, Stephen J. Klippenstein, Robert W. Field, Kirill Prozument | J. Am. Chem. Soc. 2021, 143, 3124-3142.
• “Conformational Landscape, Chirality Recognition and Chiral Analyses: Rotational Spectroscopy of Tetrahydro-2-Furoic Acid–Propylene Oxide Conformers”  | Fan Xie, Nathan A. Seifert, Arsh S. Hazrah, Wolfgang Jager, Yunjie Xu | ChemPhysChem 2021, 22, 455-460.
• “Conformation and Low-Frequency Intramolecular Motions of 1-Butanol, 1-Butanethiol, Iso-Butanol, and Iso-Butanethiol Investigated by Fourier Transform Microwave Spectroscopy Combined with Quantum Chemical Calculations”  | Yoshiyuki Kawashima, Yugo Tanaka, Taigo Uzuyama, Eizi Hirota | J. Phys. Chem. A 2021, 125, 1166-1183.
• “Dynamic Chiral Self-Recognition in Aromatic Dimers of Styrene Oxide Revealed by Rotational Spectroscopy”  | Sergio R. Domingos, Cristobal Perez, Nora M. Kreienborg, Christian Merten, Melanie Schnell| Comm. Commun. 2021, 4, 32.
• “Hydrogen Bonding Interactions in the 1,1,1,3,3,3-hexafluoro-2-propanol—1,4-dioxane Complex: Rotational Spectroscopy and Density Functional Theory Calculations” | Qian Yang, Fan Xie, Tao Lu, Nina Bui, Wolfgang Jager, Yunjie Xu | J. Mol. Spectrosc. 2021, 376, 111408.
• “Microwave Spectrum and Iodine Nuclear Quadrupole Coupling Constants of 1,1-Diiodoethane” | Michael J. Carrillo, Wei Lin, Yasuki Endo | J. Mol. Spectrosc. 2021, 378, 111419.

2020

• “Rapid Quantification of Isomeric and Dehalogenated Impurities in Pharmaceutical Raw Materials by MRR Spectroscopy”  | Justin L. Neill, Alexander V. Mikhonin, Ted Chen, Reilly E. Sonstrom, Brooks H. Pate | J. Pharm. Biomed. Anal. 2020, 189, 113474.
• “Preparation of cyclohexene isotopologues and stereoisotopomers from benzene”  | Jacob A. Smith, Katy B. Wilson, Reilly E. Sonstrom, Patrick J. Kelleher, Kevin D. Welch, Emmit K. Pert, Karl S. Westendorff, Diane A. Dickie, Xiaoping Wang, Brooks H. Pate, W. Dean Harman | Nature 2020, 581, 288-293.
• “Direct Regioisomer Analysis of Crude Reaction Mixtures via Molecular Rotational Resonance (MRR) Spectroscopy”  | Leo A. Joyce, Danielle Schultz, Edward Sherer, Justin L. Neill, Reilly E. Sonstrom, Brooks H. Pate | Chem. Sci. 2020, in press, doi.org/10.1039/D0SC01853H.
• “A Molecular Detection/Separations System of Singular Specificity”  | Daniel W. Armstrong, Mohsen Talebi, Nimisha Thakur, M. Farooq Wahab, Alexander V. Mikhonin, Matt T. Muckle, Justin L. Neill | Angew Chem. Int. Ed. 2020, 59, 192-196.
• “Assessing the performance of rotational spectroscopy in chiral analysis”  | Sergio R. Domingos, Cristobal Perez, Mark D. Marshall, Helen O. Leung, Melanie Schnell | Chem. Sci. 2020, 11, 10863-10870.
• “Water Triggers Hydrogen-Bond-Network Reshaping in the Glycolaldehyde Dimer” | Cristóbal Pérez, Amanda L. Steber, Berhane Temelso, Zbigniew Kisiel, Melanie Schnell | Angew. Chem. Int. Ed. 2020, in press. DOI: 10.1002/anie.201914888.
• “Gas-Phase Conformational Map of the Amino Acid Isovaline” | E.M. Neeman, I. León, E.R. Alonso, S. Mata, J.L. Alonso | Chem. Phys. Chem. 2020, in press. DOI: 10.1002/cphc.201901201.
• “Observation of the Unbiased Conformers of Putative DNA-Scaffold Ribosugars” | Camilla Calabrese, Iciar Uriarte, Aran Insausti, Montserrat Vallejo-López, Francisco J. Basterretxea, Stephen A. Cochrane, Benjamin G. Davis, Francisco Corzana, Emilio J. Cocinero | ACS Cent. Sci, 2020, 6, 293-303.
• “Terpenoids: Shape and Non-Covalent Interactions. The Rotational Spectrum of cis-Verbenol and its 1:1 Water Complex” | Susana Blanco, Juan Carlos López, Assimo Maris | Phys. Chem. Chem. Phys. 2020, 22, 5729-5734.
• “Rotational Spectrum and Intramolecular Hydrogen Bonding in 1,2-Butanedithiol”  | Marcos Juanes, Rizalina Tama Saragi, Yan Jin, Oliver Zingsheim, Stephan Schlemmer, Alberto Lesarri | J. Mol. Struct. 2020, 1211, 128080.

2019

• “Analysis of Thyme Eessential Oils Using Gas-Phase Broadband Rotational Spectroscopy” | Maria Mar Quesada-Moreno, Anna Krin, Melanie Schnell | Phys. Chem. Chem. Phys. 2019, 21, 26569-26579.
• “Direct Measurements of Small Polar Impurities in Gasoline Mixtures Using Molecular Rotational Resonance Spectroscopy”  | Artressa L. Christophe, Jalon T. Barnes, Sylvestre Twagirayezu, Aleksander Mikhonin, Matt T. Muckle, Justin L. Neill | Appl. Spectrosc. 2019, 73, 1334.
• “On-line Stereochemical Process Monitoring by Molecular Rotational Resonance Spectroscopy,” | Justin L. Neill, Yuan Yang, Matt T. Muckle, Roger L. Reynolds, Luca Evangelisti, Reilly E. Sonstrom, Brooks H. Pate, B. Frank Gupton | Org. Proc. Res. Dev. 2019, 23, 1046-1051.
• “The structural determination and skeletal ring modes of tetrahydropyran,” | Sebastian Gruet, Olivier Pirali, Amanda L. Steber, and Melanie Schnell | Phys. Chem. Chem. Phys. 2019, 21, 3016-3023.
• “Pyridine-acetaldehyde, a molecular balance to explore the n-π* interaction,”  | Susana Blanco, Alberto Macario, Juan Carlos Lopez | Phys. Chem. Chem. Phys. 2019, 21, 20566-20570.
• “Structure of butyl carbamate and its water complex in the gas phase,” | Pablo Pinacho, Juan Carlos Lopez, Zbigniew Kisiel, Susana Blanco |  J. Phys. Chem. A 2019, 123, 7983-7990.
• “Rotational spectrum, tunneling motions, and intramolecular potential barriers in benzyl mercaptan,” | Rizalina Tama Saragi, Marcos Juanes, Walther Caminati, Alberto Lesarri, Lourdes Enriquez, Martin Jaraiz |  J. Phys. Chem. A, 2019, 123, 8435-8440.
• “Rotational spectroscopy of organophosphorous chemical agents: cresyl and phenyl saligenin phosphates,” | Rizalina Tama Saragi, Marcos Juanes, Jose Luis Abad, Alberto Lesarri, Ruth Pinacho, Jose Emiliano Rubio | Phys. Chem. Chem. Phys. 2019, 21, 16418-16422.
• “How flexible is the disulfide linker? A combined rotational-computational investigation of diallyl disulfide,” | Jean Demaison, Natalja Vogt, Rizalina Tama Saragi, Marcos Juanes, Heinz Dieter Rudolph, Alberto Lesarri | Phys. Chem. Chem. Phys. 2019, 21, 19732-19736.
• “Rotational Signatures of Dispersive Stacking in the Formation of Aromatic Dimers,” | Maryiam Fatima, Amanda L. Steber, Anja Poblotzki, Cristobal Perez, S. Zinn, M. Schnell | Angew. Chem. Int. Ed. 2019, 58, 3108-3113.
• “The Rotational Spectrum of Eugenol as Analyzed with Double Resonance and Grid-Based Autofit,” | Erika J. Riffe, Steven T. Shipman, Sydney A. Gaster, Cameron M. Funderburk, Gordon G. Brown | J. Chem. Phys. A, 2019, 123, 1091-1099.

2018

• “Rotational Spectroscopy of Chiral Tetrahydro-2-furoic Acid: Conformational landscape, conversion, and abundances” | Fan Xie, Xiaoqian Ng, Nathan A. Seifert, Jaxis Thomas, Wolfgang Jager, Yunjie Xu | J. Chem. Phys. 2018, 149, 224306.
• “Microwave Spectra and Nuclear Quadrupole Structure of the NH3-N2 van der Waals Complex and its Deuterated Isotopologues,” | Leonid Surin, Ivan Tarabukin, Cristobal Perez, Melanie Schnell | J. Chem. Phys. 2018, 149, 224305.
• “Automated assignment of rotational spectra using artificial neural networks“ | Daniel P. Zaleski, Kirill Prozument | J. Chem. Phys. 2018, 149, 104106.
• “Gas Phase Detection and Rotational Spectroscopy of Ethynethiol, HCCSH” | Kin Long Kelvin Lee, Marie-Aline Martin-Drumel, Valerio Lattanzi, Brett A. McGuire, Paola Caselli, Michael C. McCarthy | Mol. Phys. 2018, 117, 1381-1391.
• “The S-S bridge: An experimental-computational mixed estimation of the equilibrium structure of diphenyl disulfide,”  | Jean Demaison, Natalja Vogt, Rizalina T. Saragi, Marcos Juanes, Heinz D. Rudolph, and Alberto Lesarri | ChemPhysChem 2019, 20, 366-373.
• “Rotational Spectra and Theoretical Study of Tetramers and Trimers of 2-Fluoroethanol: Dramatic Intramolecular Compensation for Intramolecular Instabiltiy,” | Nathan Seifert, Javix Thomas, Wolfgang Jaeger, Yunjie Xu | Phys. Chem. Chem. Phys. 2018, 20, 27630-27637.
• “The H2S Dimer is Hydrogen-Bonded: Direct Confirmation from Microwave Spectroscopy” | Arijit Das, Pankaj K. Mandal, Francis J. Lovas, Chris Medcraft, Nicholas R. Walker, Elangannan Arunan | Angew. Chem. Int. Ed. 2018, 130, 15419-15423.
• “State-Specific Enrichment of Chiral Conformers with Microwave Spectroscopy” | Cristobal Perez, Amanda L. Steber, Anna Krin, Melanie Schnell | J. Phys. Chem. Lett 2018, 9, 4539-4543.
• “Microsolvated complexes of ibuprofen as Revealed by High-Resolution Rotational Spectroscopy” | P. Pinacho, A. Krin, C. Perez, S. Zinn, J.C. Lopez, S. Blanco, and M. Schnell | Phys. Chem. Chem. Phys. 2018, 20, 15635-15640.
•  “Chiral Analysis by High-Resolution Molecular Rotational Spectroscopy” (chapter 20) B.H. Pate, et al. in Chiral Analysis: Advances in Spectroscopy, Chromatography and Emerging Methods 2nd Ed. Elsevier, Inc. | P.L. Polavarpu, editor.
• “Sensing Chirality with Rotational Spectroscopy” | Sergio R. Domingos, Cristobal Perez, Melanie Schnell| Annu. Rev. Phys. Chem. 2018, 69, 499-519.
• “Structure Determination, Conformational Flexibility, Internal Dynamics, and Chiral Analysis of Pulegone and Its Complex with Water” | Anna Krin, Cristóbal Pérez, Pablo Pinacho, María Mar Quesada-Moreno,Juan Jesus Lopez-Gonzalez, Juan Ramón Avilés-Moreno, Susana Blanco, Juan Carlos López, and Melanie Schnell | Chem. Eur. J. 2018, 24, 721-729.

2017

• “Frontiers and Advances in Molecular Spectroscopy”  1^st Ed. Elsevier Inc.
  Chapter 17 Caminati, W. Grabow, J. “Advancements in Microwave Spectroscopy.” 569-598. and 
  Chapter 21 Lehmann, K. “Theory of Enantiomer-Specific Microwave Spectroscopy.” 713-743.
• “Time-Resolved Kinetic Chirped-Pulse Rotational Spectroscopy in a Room Temperature Flow Reactor”  | Daniel P. Zaleski, Lawrence B Harding, Stephen J Klippenstein, Branko Ruscic, and Kirill Prozument |J. Phys. Chem. Lett. 2017, 8, 6180-6188.
• “Cold Snapshot of a Molecular Rotary Motor Captured by High- Resolution Rotational Spectroscopy“ | Sergio R. Domingos, Arjen Cnossen, Wybren J. Buma, Wesley R. Browne, Ben L. Feringa, and Melanie Schnell | Angew. Chem. Int. Ed. 2017, 56, 11209-11212.
• “Coherent Enantiomer-Selective Population Enrichment Using Tailored Microwave Fields  Microwave Fields” | Cristobal Pérez, Amanda L. Steber, Sérgio R. Domingos, Anna Krin, David Schmitz, and Melanie Schnell | Angew. Chem. Int. Ed. 2017, 56, 12512 –12517.
• “Three isomers detected for the whisky lactone: 5-butyl-4-methyl tetrahydrofuran-2-one by Fourier transform microwave spectroscopy and quantum chemical calculations” | Yoshiyuki Kawashima, Ryusuke Katsuragi, Eizi Hirota | J. Mol. Spectrosc. 2017, 335, 27-32.
• “The rotational spectrum and complete heavy atom structure of the chiral molecule verbenone” | Frank E. Marshall, Galen Sedo, Channing West, Brooks H. Pate, Stephanie M. Allpress, Corey J. Evans, Peter D. Godfrey, Don McNaughton, G.S. Grubbs II  | J. Mol. Spectrosc. 2017, 342, 109–115.
• “The broadband rotational spectrum of fully deuterated acetaldehyde (CD3CDO) in a CW supersonic expansion” | Daniel P. Zaleski, Chuanxi Duan, Miguel Carvajal, Isabelle Kleiner, Kirill Prozument | J. Mol. Spectrosc. 2017, 342, 17-24.
• “A Global Study of the Conformers of 1,2-Propanediol and New Vibrationally Excited States” | Benjamin E. Arenas, Sébastien Gruet, Amanda L. Steber, Melanie Schnell | J. Mol. Spectrosc. 2017, 337, 9-16.
• “Chirped-pulse Fourier transform millimeter-wave spectroscopy of ten vibrationally excited states of i-propyl cyanide: exploring the far-infrared region” |Benjamin E. Arenas, Sébastien Gruet, Amanda L. Steber, Barbara M. Giulianod, Melanie Schnell |Phys. Chem. Chem. Phys. 2017, 19, 1751-1756.

2016

• “Communication: Structural locking mediated by a water wire: A high-resolution rotational spectroscopy study on hydrated forms of a chiral biphenyl derivative” | Sérgio R. Domingos, Cristóbal Pérez, and Melanie Schnell | The Journal of Chemical Physics 145, 161103 (2016); DOI: 10.1063/1.4966584
• “Automated microwave double resonance spectroscopy: A tool to identify and characterize chemical compounds” | Marie-Aline Martin-Drumel, Michael C. McCarthy, David Patterson, Brett A. McGuire, and Kyle N. Crabtree | The Journal of Chemical Physics Vol. 144, Issue 12, DOI: 10.1063/1.4944089
• “Wetting Camphor: Multi-Isotopic Substitution Identifies the Complementary Roles of Hydrogen Bonding and Dispersive Forces” | Cristóbal Pérez, Anna Krin, Amanda L. Steber, Juan C. López, Zbigniew Kisiel, and Melanie Schnell | J. Phys. Chem. Lett., 2016, 7 (1), pp 154–160  DOI: 10.1021/acs.jpclett.5b02541
• “Sweet Structural Signatures Unveiled in Ketohexoses” | Dr. Celina Bermúdez, Dr. Isabel Peña, Santiago Mata and Prof. José L. Alonso|Chemistry – A European Journal, Vol. 22, Issue 47, pages 16829-16837 14 Nov. 2016, DOI: 10.1002/chem.201603223
• “Perspective: The first ten years of broadband chirped pulse Fourier transform microwave spectroscopy”| G. Barrett Park and Robert W. Field | AIP J Chem Physics 144 , 200901 (2016), DOI 10.1063/1.4952762
• “Flexibility unleashed in acyclic monoterpenes: conformational space of citronellal revealed by broadband rotational spectroscopy” | Sérgio R. Domingos, Cristóbal Pérez, Chris Medcraft, Pablo Pinacho, and Melanie Schnell | Phys. Chem. Chem. Phys. 18 (25), 16682-16689 (2016)
• “Water-Induced Structural Changes in Crown Ethers from Broadband Rotational Spectroscopy” | Cristóbal Pérez, Juan C. López, Susana Blanco, and Melanie Schnell | J. Phys. Chem. Lett., 2016, 7 (20), pp 4053–4058, September 27, 2016 DOI: 10.1021/acs.jpclett.6b01939
• “Chirped-pulse Fourier transform millimeter-wave spectroscopy of ten vibrationally excited states of i-propyl cyanide: exploring the far-infrared region” |Benjamin E. Arenas, Sébastien Gruet, Amanda L. Steber, Barbara M. Giulianod and Melanie Schnell | 26 Sept 2016, Phys. Chem. Chem. Phys., 2016, Advance Article, DOI: 10.1039/C6CP06297K
• “Flexibility unleashed in acyclic monoterpenes: conformational space of citronellal revealed by broadband rotational spectroscopy”  | Sergio R. Domingos, Cristobal Perez, Chris Medcraft, Pablo Pinachoad and Melanie Schnell | Phys. Chem. Chem. Phys., 7th June 2016 DOI: 10.1039/c6cp02876d
• “The Conformational Map of Volatile Anesthetics: Enflurane Revisited” | Dr. Cristóbal Pérez, Elena Caballero-Mancebo, Prof. Dr. Alberto Lesarri, Dr. Emilio J. Cocinero, Prof. Ibon Alkorta, Dr. Richard D. Suenram, Prof. Dr. Jens-Uwe Grabow and Prof. Brooks H. Pate | Version of Record Online 3 JUN 2016, DOI: 10.1002/chem.201601201
• “High-Resolution Rotational Spectroscopy Study of the Smallest Sugar Dimer: Interplay of Hydrogen Bonds in the Glycolaldehyde Dimer” | Sabrina Zinn, Dr. Chris Medcraft, Dr. Thomas Betz, Priv.-Doz. Dr. Melanie Schnell |Angewandte Chemie International Edition, Volume 55, Issue 20, Pages 5871–6106, 6 April 2016, DOI: 10.1002/anie.201511077
• “Chemical Physics Letters – Editors’ Choice Articles” | A hand-picked choice of authors’ research and scientific articles from Chemical Physics Letters | Berhane Temelso, Brooks H. Pate, Cristóbal Pérez, Daniel P. Zaleski, George C. Shields, Nathan A. Seifert, Simon Lobsiger, Zbigniew Kisiel | Vol. 571
• “Concerted hydrogen-bond breaking by quantum tunneling in the water hexamer prism” | Jeremy O. Richardson, Cristóbal Pérez, Simon Lobsiger, Adam A. Reid, Berhane Temelso, George C. Shields, Zbigniew Kisiel, David J. Wales, Brooks H. Pate, Stuart C. Althorpe | Science  18 Mar 2016: Vol. 351, Issue 6279, pp. 1310-1313 DOI: 10.1126/science.aae0012

See Also:

Perspective: “Quantum dynamics in the smallest water droplet” David C. Clary,  Department of Physical and Theoretical Chemistry, University of Oxford, Oxford OX1 3QZ, UK. Science  18 Mar 2016: Vol. 351, Issue 6279, pp. 1267-1268 DOI: 10.1126/science.aaf3061

Video: “Water molecules break bonds through quantum tunneling” By Adrian Cho, Science Mar. 17, 2016 , 2:00 PM

• “Chiral Analysis Using Broadband Rotational Spectroscopy” | V. Alvin Shubert, David Schmitz, Cristóbal Pérez, Chris Medcraft, Anna Krin, Sérgio R. Domingos, David Patterson, and Melanie Schnell | J. Phys. Chem. Lett., 2016, 7 (2), pp 341–350 DOI: 10.1021/acs.jpclett.5b02443
• “Microwave spectral taxonomy: A semi-automated combination of chirped-pulse and cavity Fourier-transform microwave spectroscopy” | Kyle N. Crabtree, Marie-Aline Martin-Drumel, Gordon G. Brown,Sydney A. Gaster, Taylor M. Hall and Michael C. McCarthy | 29 Feb 2016, J. Chem. Phys. 144, 124201 (2016) DOI: 10.1063/1.4944072

2015

• “The shape of ibuprofen in the gas phase” | Thomas Betz, Sabrina Zinn and Melanie Schnell |  Phys. Chem. Chem. Phys.,2015, 17, 4538 DOI: 10.1039/c4cp05529b
• “Theory vs. experiment for molecular clusters: Spectra of OCS trimers and tetramers” | Luca Evangelisti, Cristobal Perez, Nathan A. Seifert, Brooks H. Pate, M. Dehghany, N. Moazzen-Ahmadi, and A. R. W. McKellar | The Journal of Chemical Physics February 2015 Vol. 142 Issue 10
• “The Molecular Structure of Methylfluoroisocyanato Silane: A Combined Microwave Spectral and Theoretical Study” | Gamil A. Guirgis, Jason S. Overby, Timothy J. Barker, Michael H. Palmer, Brooks H. Pate, and Nathan A. Seifert | J. Phys. Chem. A, 2015, 119 (4), pp 652-658 DOI: 10.1021/jp511354j
• “Chiral recognition and atropisomerism in the sevoflurane dimer” | Nathan A. Seifert, Cristóbal Peréz, Justin L Neill, Brooks H Pate, Montserrat Vallejo-López, Alberto Lesarri, Emilio J. Cocinero and Fernando Castaño | Phys. Chem. Chem. Phys. 17, 18282-18287, 2015
• “AUTOFIT an Automated Fitting Tool for Broadband Rotational Spectra, and Applications to 1-Hexanal” | Nathan A. Seifert, Ian A. Finneran, Cristóbal Peréz, Daniel P. Zaleski, Justin L Neill, Amanda L. Steber, Richard D. Suenram, Alberto Lessari, Stephen T. Shipman, Brooks H Pate | J.Mol. Spec. 312, 13-21, 2015
• “Molecular Structure and Chirality Detection by Fourier Transform Microwave Spectroscopy” | Simon Lobsinger, Cristóbal Peréz, Luca Evangelist, Kevin K. Lehmann, and Brooks H Pate | J.Phys. Chem. Lett. 6(1), 196-200, 2015
• “Rotational spectroscopy and three-wave mixing of 4-carvomenthenol: A technical guide to measuring chirality in the microwave regime” | V. Alvin Shubert, David Schmitz, Chris Medcraft, Anna Krin, David Patterson, John M. Doyle and Melanie Schnell | J. Chem. Phys. 142, 214201, 2015
• “Exploring the conformational landscape of menthol, menthone, and isomenthone: a microwave study” | David Schmitz, V. Alvin Shubert, Thomas Betz and Melanie Schnell | Front. Chem., 11 March 2015  DOI: 10.3389/fchem.2015.00015

2014

• “Identifying Enantiomers in Mixtures of Chiral Molecules with Broadband Microwave Spectroscopy” | Dr. V. Alvin Shubert, David Schmitz, Dr. David Patterson, Prof. John M. Doyle and Dr. Melanie Schnell | Angew. Chem. Int. Ed. 2014, 53, 1152-1155.
• “Herschel observations of Extraordinary Sources: Analysis of full Herschel/HIFI molecular line survey of Sagitarius B2(N)” | Justin L. Neill, Edwin A. Bergin, Dariusz C. Lis, Peter Schilke, Nathan R. Crockett, Cecile Favre, Martin Emprechtinger, Claudia Comito, Sheng-Li Qin, Dana E. Anderson, Andrew M. Burkhardt, Jo-Hsin Chen, Brent J. Harris, Steven D. Lord, Brett A. McGuire, Trevor D. McNeill, Raquel R. Monje, Thomas G. Phillips, Amanda L. Steber, Tatiana Vasyunina, Shanshan Yu | ApJ, 2014, 789,  8-37.
• “New studies on molecular chirality in the gas phase: enantiomer differentiation and determination of enantiomeric excess” | David Patterson, Melanie Schnell | Phys. Chem. Chem. Phys., 16, 11114-11123, 2014
• “Water-Water and Water-Solute Interactions in Microsolvated Organic Complexes” | Cristóbal Peréz, Justin L. Neill, Matthew T. Muckle, Daniel P. Zaleski, Isabel Pena, Juan C. Lopez, Jose L. Alonso, Brooks H. Pate | Angew. Chem. Int. Ed. 2015, 54, 979-982.
• “Identifying Enantiomers in Mixtures of Chiral Molecules with Broadband Microwave Spectroscopy” | V. Alvin Shubert, David Schmitz, David Patterson, Melanie Schnell | Angew. Chem. Int. Ed., 2014, 53, 1152-1155.

2013

• “Broadband Fourier transform rotational spectroscopy for structure determination: The water heptamer” |Cristóbal Pérez, Simon Lobsiger, Nathan A. Seifert, Daniel P. Zaleski, Berhane Temelso, George C. Shields, Zbigniew Kisiel, Brooks H. Pate | Chem. Phys. Lett. 2016, 571, 1-15.
• “Segmented chirped-pulse Fourier transform submillimeter spectroscopy for broadband gas analysis” | Justin L. Neill, Brent J. Harris, Amanda L. Steber, Kevin O. Douglass, David F. Plusquellic, and Brooks H. Pate | Optics Express, 2013, 21, 19743-19749.
• “Handedness detected by microwaves” | Laurence A. Nafie | Nature 2013, 497, 446-448.
• “Enantiomer-Specific Detection of Chiral Molecules via Microwave Spectroscopy” | D. Patterson, M. Schnell, J. M. Doyle | Nature 497, 475-477, 2013 | (Cover article)
• “Segmented chirped-pulse Fourier transform submillimeter spectroscopy for broadband gas analysis”  | Justin L Neill, Brent J Harris, Amanda L Steber, Kevin O Douglass, David F Plusquellic, Brooks H Pate |  Optics Express 21(3), 19743-19749, 2013
•  “Seven Conformers of Neutral Dopamine Revealed in the Gas Phase” | Carlos Cabezas, Isabel Peña, Juan C. López, and José L. Alonso* | J. Phys. Chem. Lett., 2013, 4, 486–490.

2012

• “Broadband Molecular Rotational Spectroscopy Special Issue” | Brooks H. Pate, Frank De Lucia | J. Mol. Spectrosc. 2012, 280, 1-2.
• “An arbitrary waveform generator based chirped pulse Fourier transform spectrometer operating from 260 to 290 GHz” | Amanda L. Steber, Brent J. Harris, Justin L. Neill1, Brooks H. Pate | J. Mol. Spectrosc. 2012, 280, 3-10.
• “A Ka-band chirped-pulse Fourier transform microwave spectrometer” | Daniel P. Zaleskia, Justin L. Neilla, Matt T. Muckle, Nathan A. Seiferta, P. Brandon Carrollb, Susanna L. Widicus Weaver, Brooks H. Pate | J. Mol. Spectrosc. 2012, 280, 68-76.
• “Structures of Cage, Prism, and Book Isomers of Water Hexamer from Broadband Rotational Spectroscopy” | Cristóbal Pérez, Matt T. Muckle, Daniel P. Zaleski1, Nathan A. Seifert, Berhane Temelso, George C. Shields, Zbigniew Kisiel, Brooks H. Pate | Science 2012, 336, 897-901.
• “An arbitrary waveform generator based chirped pulse Fourier transform spectrometer operating from 260 to 290 GHz” | Amanda L Steber, Brent J Harris, Justin L Neill, Brooks H Pate | J. Mol. Spectrosc. 2012, 280, 3-10.
• “A K_a-band chirped-pulse Fourier transform microwave spectrometer” | Daniel P Zaleski, Justin L Neill, Matt T Muckle, Nathan A Siefert, P Brandon Caroll, Susanna L Widicus Weaver, Brooks H Pate | J. Mol. Spectrosc. 2012, 280, 68-76.

2011 and Before

• “Structure Determination of Strawberry Aldehyde by Broadband Microwave Spectroscopy: Conformational Stabilization by Dispersive Interactions” | Steven T. Shipman, Justin L. Neill, Richard D. Suenram, Matt T. Muckle, and Brooks H. Pate | J. Phys. Chem. Lett., 2011, 2, 443–448.
• “Taking the Pulse of Molecular Rotational Spectroscopy” | Brooks H. Pate | Science, 2011, 333, 947-948.
• “Structural Studies of Biomolecules in the Gas Phase by Chirped-pulse Fourier Transform Microwave Spectroscopy” | Amanda L. Steber, Justin L. Neill, Daniel P. Zaleski, Brooks H. Pate, Alberto Lesarri, Ryan G. Bird, Vanesa Vaquero-Vara, David W. Pratt | Faraday Discuss., 2011,150, 227-242.
• “New Techniques in Microwave Spectroscopy. Handbook of High-resolution Spectroscopy” | Steven T. Shipman, Brooks H. Pate | Handbook of High-resolution Spectroscopy Published Online: 15 SEP 2011 DOI: 10.1002/9780470749593.hrs036
• “Next generation techniques in the high resolution spectroscopy of biologically relevant molecules” | Justin L. Neill, Kevin O. Douglass, Brooks H. Pate and David W. Pratt | Phys. Chem. Chem. Phys., 2011,13, 7253-7262 DOI: 10.1039/C0CP01573C,  10 Mar 2011
• “A broadband Fourier transform microwave spectrometer based on chirped pulse excitation” | Gordon G. Brown, Brian C. Dian, Kevin O. Douglass, Scott M. Geyer, Steven T. Shipman and Brooks H. Pate | Rev. Sci. Instrum. 2008, 79, 053103.