Brooks H. Pate, PhD - Publications

Affiliations: 
Chemistry University of Virginia, Charlottesville, VA 
Area:
rotational spectroscopy, instrument development, physical chemistry
Website:
http://chem.virginia.edu/faculty-research/faculty/brooks-h-pate/

148 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2023 Sonstrom RE, Vang ZP, Scolati HN, Neill JL, Pate BH, Clark JR. Rapid Enantiomeric Excess Measurements of Enantioisotopomers by Molecular Rotational Resonance Spectroscopy. Organic Process Research & Development. 27: 1185-1197. PMID 38046274 DOI: 10.1021/acs.oprd.3c00028  0.819
2023 Vang ZP, Sonstrom RE, Scolati HN, Clark JR, Pate BH. Assignment of the absolute configuration of molecules that are chiral by virtue of deuterium substitution using chiral tag molecular rotational resonance spectroscopy. Chirality. PMID 37277968 DOI: 10.1002/chir.23596  0.82
2022 Mayer K, West C, Marshall FE, Sedo G, Grubbs GS, Evangelisti L, Pate BH. Accuracy of quantum chemistry structures of chiral tag complexes and the assignment of absolute configuration. Physical Chemistry Chemical Physics : Pccp. PMID 36374162 DOI: 10.1039/d2cp04060c  0.402
2022 Baweja S, Panchagnula S, Sanz ME, Evangelisti L, Pérez C, West C, Pate BH. Competition between In-Plane vs Above-Plane Configurations of Water with Aromatic Molecules: Non-Covalent Interactions in 1,4-Naphthoquinone-(HO) Complexes. The Journal of Physical Chemistry Letters. 9510-9516. PMID 36200782 DOI: 10.1021/acs.jpclett.2c02618  0.541
2022 Pate BH, Mills MD, Sonstrom RE, Vang ZP, Neill JL, Scolati HN, West CT, Clark JR. Enantioselective Synthesis of Enantioisotopomers with Quantitative Chiral Analysis by Chiral Tag Rotational Spectroscopy. Angewandte Chemie (International Ed. in English). PMID 35700045 DOI: 10.1002/anie.202207275  0.788
2022 Steber AL, Li W, Pate BH, Lesarri A, Pérez C. The First Stages of Nanomicelle Formation Captured in the Sevoflurane Trimer. The Journal of Physical Chemistry Letters. 13: 3770-3775. PMID 35446045 DOI: 10.1021/acs.jpclett.2c00671  0.769
2022 Sonstrom RE, Neill JL, Mikhonin AV, Doetzer R, Pate BH. Chiral analysis of pantolactone with molecular rotational resonance spectroscopy. Chirality. 34: 114-125. PMID 34698412 DOI: 10.1002/chir.23379  0.685
2021 Lv D, Maris A, Evangelisti L, Maggio A, Song W, Elliott AA, Peebles SA, Neill JL, Muckle MT, Pate BH, Peebles RA, Melandri S. σ-Hole activation and structural changes upon perfluorination of aryl halides: direct evidence from gas phase rotational spectroscopy. Physical Chemistry Chemical Physics : Pccp. PMID 34397049 DOI: 10.1039/d1cp03023j  0.836
2021 Calabrese C, Temelso B, Usabiaga I, Seifert NA, Basterretxea FJ, Prampolini G, Shields GC, Pate BH, Evangelisti L, Cocinero EJ. The Role of Non-Covalent Interactions on Cluster Formation: Pentamer, Hexamers and Heptamer of Difluoromethane. Angewandte Chemie (International Ed. in English). PMID 34028158 DOI: 10.1002/anie.202103900  0.666
2021 Vang ZP, Reyes A, Sonstrom RE, Holdren MS, Sloane SE, Alansari IY, Neill JL, Pate BH, Clark JR. Copper-Catalyzed Transfer Hydrodeuteration of Aryl Alkenes with Quantitative Isotopomer Purity Analysis by Molecular Rotational Resonance Spectroscopy. Journal of the American Chemical Society. PMID 34000182 DOI: 10.1021/jacs.1c00884  0.802
2020 Sanz ME, Saxena S, Panchagnula S, Pérez C, Evangelisti L, Pate BH. Structural Changes Induced by Quinones: High Resolution Microwave Study of 1,4-Naphthoquinone. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 32954594 DOI: 10.1002/Cphc.202000665  0.635
2020 Joyce LA, Schultz DM, Sherer EC, Neill JL, Sonstrom RE, Pate BH. Direct regioisomer analysis of crude reaction mixtures molecular rotational resonance (MRR) spectroscopy. Chemical Science. 11: 6332-6338. PMID 32953028 DOI: 10.1039/D0Sc01853H  0.715
2020 Neill JL, Mikhonin AV, Chen T, Sonstrom RE, Pate BH. Rapid quantification of isomeric and dehalogenated impurities in pharmaceutical raw materials using MRR spectroscopy. Journal of Pharmaceutical and Biomedical Analysis. 189: 113474. PMID 32738746 DOI: 10.1016/J.Jpba.2020.113474  0.676
2020 Martinez MA, West CT, Pate BH, Peebles SA, Peebles RA. Investigation of a polar form of fluoroethylene dimer, (C2H3F)2, by microwave spectroscopy Journal of Molecular Structure. 1211: 128038. DOI: 10.1016/J.Molstruc.2020.128038  0.392
2019 Guirgis GA, Sonstrom RE, Clark AJ, Pate BH, Palmer MH. The Molecular Structure of 1-Isocyano-1-Silacyclopent-3-Ene: A Combined Microwave Spectral and Theoretical Study. The Journal of Physical Chemistry. A. PMID 31034227 DOI: 10.1021/Acs.Jpca.9B00652  0.368
2019 Giuliano BM, Bizzocchi L, Pietropolli Charmet A, Arenas BE, Steber AL, Schnell M, Caselli P, Harris BJ, Pate BH, Guillemin J, Belloche A. Rotational spectroscopy of imidazole: improved rest frequencies for astrophysical searches Astronomy & Astrophysics. 628: A53. DOI: 10.1051/0004-6361/201935769  0.837
2019 Neill JL, Yang Y, Muckle MT, Reynolds RL, Evangelisti L, Sonstrom RE, Pate BH, Gupton BF. Online Stereochemical Process Monitoring by Molecular Rotational Resonance Spectroscopy Organic Process Research & Development. 23: 1046-1051. DOI: 10.1021/Acs.Oprd.9B00089  0.816
2018 Perez C, León I, Lesarri A, Pate BH, Martínez R, Millán J, Fernández JA. Isomerism of the Aniline Trimer. Angewandte Chemie (International Ed. in English). PMID 30284357 DOI: 10.1002/Anie.201808602  0.639
2018 Temelso B, Klein KL, Mabey JW, Pérez C, Pate BH, Kisiel Z, Shields GC. Exploring the Rich Potential Energy Surface of (H2O)11 and Its Physical Implications. Journal of Chemical Theory and Computation. PMID 29328634 DOI: 10.1021/Acs.Jctc.7B00938  0.573
2018 Marshall FE, Neill JL, Muckle MT, Pate BH, Kisiel Z, Grubbs G. Observation of 36ArH37Cl, 38ArH35Cl and 38ArH37Cl in natural abundance using CP-FTMW spectroscopy Journal of Molecular Spectroscopy. 344: 34-38. DOI: 10.1016/J.Jms.2017.10.009  0.813
2017 Pratt DW, Pate BH. Chiral Imprinting in the Gas Phase. Angewandte Chemie (International Ed. in English). PMID 29116681 DOI: 10.1002/Anie.201709438  0.303
2017 Steber AL, Pérez C, Temelso B, Shields GC, Rijs AM, Pate BH, Kisiel Z, Schnell M. Capturing the Elusive Water Trimer from the Stepwise Growth of Water on the Surface of the Polycyclic Aromatic Hydrocarbon Acenaphthene. The Journal of Physical Chemistry Letters. PMID 29112436 DOI: 10.1021/Acs.Jpclett.7B02695  0.79
2017 Seifert NA, Zaleski DP, Fehnel R, Goswami M, Pate BH, Lehmann KK, Leung HO, Marshall MD, Stanton JF. The gas-phase structure of the asymmetric, trans-dinitrogen tetroxide (N2O4), formed by dimerization of nitrogen dioxide (NO2), from rotational spectroscopy and ab initio quantum chemistry. The Journal of Chemical Physics. 146: 134305. PMID 28390374 DOI: 10.1063/1.4979182  0.789
2017 Marshall FE, Sedo G, West C, Pate BH, Allpress SM, Evans CJ, Godfrey PD, McNaughton D, Grubbs G. The rotational spectrum and complete heavy atom structure of the chiral molecule verbenone Journal of Molecular Spectroscopy. 342: 109-115. DOI: 10.1016/J.Jms.2017.09.003  0.438
2017 Vaquero-Vara V, Alstadt V, Sewatsky T, Claughton J, Finneran I, Shipman S, Pate B, Pratt D. N-ethylformamide dimer. A β-turn model peptide in the gas phase Journal of Molecular Spectroscopy. 335: 102-107. DOI: 10.1016/J.Jms.2016.12.001  0.756
2016 Akmeemana AG, Kang JM, Dorris RE, Nelson RD, Anderton AM, Peebles RA, Peebles SA, Seifert NA, Pate BH. Effect of aromatic ring fluorination on CHπ interactions: microwave spectrum and structure of the 1,2-difluorobenzeneacetylene dimer. Physical Chemistry Chemical Physics : Pccp. PMID 27530245 DOI: 10.1039/C6Cp04737H  0.75
2016 McGuire BA, Martin-Drumel MA, Thorwirth S, Brünken S, Lattanzi V, Neill JL, Spezzano S, Yu Z, Zaleski DP, Remijan AJ, Pate BH, McCarthy MC. Molecular polymorphism: microwave spectra, equilibrium structures, and an astronomical investigation of the HNCS isomeric family. Physical Chemistry Chemical Physics : Pccp. PMID 27478937 DOI: 10.1039/C6Cp03871A  0.85
2016 Pérez C, Caballero-Mancebo E, Lesarri A, Cocinero EJ, Alkorta I, Suenram RD, Grabow JU, Pate BH. The Conformational Map of Volatile Anesthetics: Enflurane Revisited. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 27258776 DOI: 10.1002/Chem.201601201  0.661
2016 Richardson JO, Pérez C, Lobsiger S, Reid AA, Temelso B, Shields GC, Kisiel Z, Wales DJ, Pate BH, Althorpe SC. Concerted hydrogen-bond breaking by quantum tunneling in the water hexamer prism. Science (New York, N.Y.). 351: 1310-3. PMID 26989250 DOI: 10.1126/Science.Aae0012  0.575
2015 Guirgis GA, Askarian SM, Morris T, Palmer MH, Pate BH, Seifert NA. Molecular Structure of Cyclopropyl (Isocyanato) Silane: A Combined Microwave Spectral and Theoretical Study. The Journal of Physical Chemistry. A. PMID 26580291 DOI: 10.1021/Acs.Jpca.5B10154  0.727
2015 Guirgis GA, Sawant DK, Brenner RE, Deodhar BS, Seifert NA, Geboes Y, Pate BH, Herrebout WA, Hickman DV, Durig JR. Microwave, r0 Structural Parameters, Conformational Stability and Vibrational Assignment of (Chloromethyl)fluorosilane. The Journal of Physical Chemistry. A. PMID 26436757 DOI: 10.1021/Acs.Jpca.5B06679  0.726
2015 Lobsiger S, Perez C, Evangelisti L, Lehmann KK, Pate BH. Molecular Structure and Chirality Detection by Fourier Transform Microwave Spectroscopy. The Journal of Physical Chemistry Letters. 6: 196-200. PMID 26263113 DOI: 10.1021/Jz502312T  0.716
2015 Seifert NA, Pérez C, Neill JL, Pate BH, Vallejo-López M, Lesarri A, Cocinero EJ, Castaño F. Chiral recognition and atropisomerism in the sevoflurane dimer. Physical Chemistry Chemical Physics : Pccp. 17: 18282-7. PMID 25959977 DOI: 10.1039/C5Cp01025J  0.803
2015 Evangelisti L, Perez C, Seifert NA, Pate BH, Dehghany M, Moazzen-Ahmadi N, McKellar AR. Theory vs. experiment for molecular clusters: Spectra of OCS trimers and tetramers. The Journal of Chemical Physics. 142: 104309. PMID 25770542 DOI: 10.1063/1.4914323  0.796
2015 Guirgis GA, Overby JS, Barker TJ, Palmer MH, Pate BH, Seifert NA. The molecular structure of methylfluoroisocyanato silane: a combined microwave spectral and theoretical study. The Journal of Physical Chemistry. A. 119: 652-8. PMID 25551546 DOI: 10.1021/jp511354j  0.717
2015 Pérez C, Neill JL, Muckle MT, Zaleski DP, Peña I, Lopez JC, Alonso JL, Pate BH. Water-water and water-solute interactions in microsolvated organic complexes. Angewandte Chemie (International Ed. in English). 54: 979-82. PMID 25413278 DOI: 10.1002/Anie.201409057  0.793
2015 Harris BJ, Pulliam RL, Neill JL, Muckle MT, Reynolds R, Pate BH. Fourier transform molecular rotational resonance spectroscopy for reprogrammable chemical sensing Proceedings of Spie - the International Society For Optical Engineering. 9362. DOI: 10.1117/12.2080101  0.832
2015 Seifert NA, Finneran IA, Perez C, Zaleski DP, Neill JL, Steber AL, Suenram RD, Lesarri A, Shipman ST, Pate BH. AUTOFIT, an automated fitting tool for broadband rotational spectra, and applications to 1-hexanal Journal of Molecular Spectroscopy. 312: 13-21. DOI: 10.1016/J.Jms.2015.02.003  0.844
2014 Pérez C, Zaleski DP, Seifert NA, Temelso B, Shields GC, Kisiel Z, Pate BH. Hydrogen bond cooperativity and the three-dimensional structures of water nonamers and decamers. Angewandte Chemie (International Ed. in English). 53: 14368-72. PMID 25348841 DOI: 10.1002/Anie.201407447  0.792
2014 Ulrich NW, Seifert NA, Dorris RE, Peebles RA, Pate BH, Peebles SA. Benzene···acetylene: a structural investigation of the prototypical CH···π interaction. Physical Chemistry Chemical Physics : Pccp. 16: 8886-94. PMID 24686437 DOI: 10.1039/C4Cp00845F  0.764
2014 Seifert NA, Zaleski DP, Pérez C, Neill JL, Pate BH, Vallejo-López M, Lesarri A, Cocinero EJ, Castaño F, Kleiner I. Probing the C-H⋅⋅⋅π weak hydrogen bond in anesthetic binding: the sevoflurane-benzene cluster. Angewandte Chemie (International Ed. in English). 53: 3210-3. PMID 24520035 DOI: 10.1002/Anie.201309848  0.807
2014 Neill JL, Harris BJ, Pulliam RL, Muckle MT, Reynolds R, McDaniel D, Pate BH. Pure rotational spectrometers for trace-level VOC detection and chemical sensing Proceedings of Spie - the International Society For Optical Engineering. 9101. DOI: 10.1117/12.2050417  0.83
2014 Bird RG, Neill JL, Alstadt VJ, Young JW, Pate BH, Pratt DW. Correction to “Ground State 14N Quadrupole Couplings in the Microwave Spectra of N,N′-Dimethylaniline and 4,4′-Dimethylaminobenzonitrile” The Journal of Physical Chemistry A. 118: 1964-1964. DOI: 10.1021/Jp500534Y  0.663
2014 Durig JR, Guirgis GA, Sawant DK, Seifert NA, Deodhar BS, Pate BH, Panikar SS, Groner P, Overby JS, Askarian SM. Microwave, r0 structural parameters, conformational stability and vibrational assignment of cyclopropylcyanosilane Chemical Physics. 445: 68-81. DOI: 10.1016/J.Chemphys.2014.10.004  0.73
2013 Neill JL, Harris BJ, Steber AL, Douglass KO, Plusquellic DF, Pate BH. Segmented chirped-pulse Fourier transform submillimeter spectroscopy for broadband gas analysis. Optics Express. 21: 19743-9. PMID 24105522 DOI: 10.1364/Oe.21.019743  0.812
2013 Ulrich NW, Songer TS, Peebles RA, Peebles SA, Seifert NA, Pérez C, Pate BH. Effect of aromatic ring fluorination on CH···π interactions: rotational spectrum and structure of the fluorobenzene···acetylene weakly bound dimer. Physical Chemistry Chemical Physics : Pccp. 15: 18148-54. PMID 24060903 DOI: 10.1039/C3Cp53399A  0.796
2013 Goswami M, Neill JL, Muckle M, Pate BH, Arunan E. Microwave, infrared-microwave double resonance, and theoretical studies of C2H4···H2S complex. The Journal of Chemical Physics. 139: 104303. PMID 24050340 DOI: 10.1063/1.4819787  0.814
2013 Seifert NA, Steber AL, Neill JL, Pérez C, Zaleski DP, Pate BH, Lesarri A. The interplay of hydrogen bonding and dispersion in phenol dimer and trimer: structures from broadband rotational spectroscopy. Physical Chemistry Chemical Physics : Pccp. 15: 11468-77. PMID 23749053 DOI: 10.1039/C3Cp51725J  0.814
2013 Fleisher AJ, Bird RG, Zaleski DP, Pate BH, Pratt DW. High-resolution electronic spectroscopy of the doorway states to intramolecular charge transfer. The Journal of Physical Chemistry. B. 117: 4231-40. PMID 22913563 DOI: 10.1021/Jp3041296  0.73
2013 Neill JL, Harris BJ, Steber AL, Douglass KO, Plusquellic DF, Pate BH. Segmented chirped-pulse Fourier transform submillimeter spectroscopy for broadband gas analysis Optics Express. 21: 19743-19749. DOI: 10.1364/OE.21.019743  0.792
2013 Martinez O, Loomis RA, Zaleski DP, Steber AL, Neill JL, Muckle MT, Harris BJ, Hollis JM, Jewell PR, Lattanzi V, Lovas FJ, McCarthy MC, Remijan AJ, Pate BH, Corby JF. The detection of interstellar ethanimine (CH3CHNH) from observations taken during the gbt primos survey Astrophysical Journal Letters. 765. DOI: 10.1088/2041-8205/765/1/L9  0.827
2013 Martinez O, Zaleski DP, Seifert NA, Steber AL, Muckle MT, Loomis RA, Corby JF, Crabtree KN, Jewell PR, Hollis JM, Lovas FJ, Vasquez D, Nyiramahirwe J, Sciortino N, Johnson K, ... ... Pate BH, et al. Detection of E-cyanomethanimine toward sagittarius B2(N) in the green bank telescope primos survey Astrophysical Journal Letters. 765. DOI: 10.1088/2041-8205/765/1/L10  0.814
2013 Guirgis GA, Klaassen JJ, Pate BH, Seifert NA, Darkhalil ID, Deodhar BS, Wyatt JK, Dukes HW, Kruger M, Durig JR. Microwave, infrared, and Raman spectra, structural parameters, vibrational assignments and theoretical calculations of 1,3-disilacyclopentane Journal of Molecular Structure. 1049: 400-408. DOI: 10.1016/J.Molstruc.2013.06.042  0.759
2013 Brandon Carroll P, McGuire BA, Zaleski DP, Neill JL, Pate BH, Widicus Weaver SL. The pure rotational spectrum of glycolaldehyde isotopologues observed in natural abundance Journal of Molecular Spectroscopy. 284: 21-28. DOI: 10.1016/J.Jms.2013.01.002  0.831
2013 Pérez C, Lobsiger S, Seifert NA, Zaleski DP, Temelso B, Shields GC, Kisiel Z, Pate BH. Broadband Fourier transform rotational spectroscopy for structure determination: The water heptamer Chemical Physics Letters. 571: 1-15. DOI: 10.1016/J.Cplett.2013.04.014  0.841
2013 Pate BH, Seifert NA, Guirgis GA, Deodhar BS, Klaassen JJ, Darkhalil ID, Crow JA, Wyatt JK, Dukes HW, Durig JR. Microwave, infrared, and Raman spectra, structural parameters, vibrational assignments and theoretical calculations of 1,1,3,3-tetrafluoro-1,3- disilacyclopentane Chemical Physics. 416: 33-42. DOI: 10.1016/J.Chemphys.2013.03.002  0.699
2012 Guirgis GA, Overby JS, Palmer MH, Peebles RA, Peebles SA, Elmuti LF, Obenchain DA, Pate BH, Seifert NA. Molecular structure of methyldifluoroisocyanato silane: a combined microwave spectral and theoretical study. The Journal of Physical Chemistry. A. 116: 7822-9. PMID 22757670 DOI: 10.1021/Jp302519H  0.766
2012 Pérez C, Muckle MT, Zaleski DP, Seifert NA, Temelso B, Shields GC, Kisiel Z, Pate BH. Structures of cage, prism, and book isomers of water hexamer from broadband rotational spectroscopy. Science (New York, N.Y.). 336: 897-901. PMID 22605772 DOI: 10.1126/Science.1220574  0.815
2012 Neill JL, Muckle MT, Zaleski DP, Steber AL, Pate BH, Lattanzi V, Spezzano S, McCarthy MC, Remijan AJ. Laboratory and tentative interstellar detection of trans-methyl formate using the publicly available green bank telescope primos survey Astrophysical Journal. 755. DOI: 10.1088/0004-637X/755/2/153  0.824
2012 Seifert NA, Guirgis GA, Pate BH. The molecular structure of methyl(difluoro)silyl chloride as determined by broadband microwave spectroscopy Journal of Molecular Structure. 1023: 222-226. DOI: 10.1016/J.Molstruc.2012.04.078  0.749
2012 Pate BH, De Lucia FC. Broadband molecular rotational spectroscopy special issue Journal of Molecular Spectroscopy. 280: 1-2. DOI: 10.1016/J.Jms.2012.08.003  0.418
2012 Steber AL, Harris BJ, Neill JL, Pate BH. An arbitrary waveform generator based chirped pulse Fourier transform spectrometer operating from 260 to 295 GHz Journal of Molecular Spectroscopy. 280: 3-10. DOI: 10.1016/J.Jms.2012.07.015  0.803
2012 Zaleski DP, Neill JL, Muckle MT, Seifert NA, Brandon Carroll P, Widicus Weaver SL, Pate BH. A K a-band chirped-pulse Fourier transform microwave spectrometer Journal of Molecular Spectroscopy. 280: 68-76. DOI: 10.1016/J.Jms.2012.07.014  0.833
2012 Bird RG, Vaquero-Vara V, Zaleski DP, Pate BH, Pratt DW. Chirped-pulsed FTMW spectra of valeric acid, 5-aminovaleric acid, and δ-valerolactam: A study of amino acid mimics in the gas phase Journal of Molecular Spectroscopy. 280: 42-46. DOI: 10.1016/J.Jms.2012.06.017  0.743
2011 Steber AL, Neill JL, Zaleski DP, Pate BH, Lesarri A, Bird RG, Vaquero-Vara V, Pratt DW. Structural studies of biomolecules in the gas phase by chirped-pulse Fourier transform microwave spectroscopy. Faraday Discussions. 150: 227-42; discussion 2. PMID 22457951 DOI: 10.1039/C1Fd00008J  0.842
2011 Daly AM, Douglass KO, Sarkozy LC, Neill JL, Muckle MT, Zaleski DP, Pate BH, Kukolich SG. Microwave measurements of proton tunneling and structural parameters for the propiolic acid-formic acid dimer. The Journal of Chemical Physics. 135: 154304. PMID 22029310 DOI: 10.1063/1.3643720  0.835
2011 Pate BH. Chemistry. Taking the pulse of molecular rotational spectroscopy. Science (New York, N.Y.). 333: 947-8. PMID 21852481 DOI: 10.1126/Science.1207994  0.477
2011 Kisiel Z, Lesarri A, Neill JL, Muckle MT, Pate BH. Structure and properties of the (HCl)2H2O cluster observed by chirped-pulse Fourier transform microwave spectroscopy. Physical Chemistry Chemical Physics : Pccp. 13: 13912-9. PMID 21743896 DOI: 10.1039/C1Cp20841A  0.812
2011 Twagirayezu S, Wang X, Perry DS, Neill JL, Muckle MT, Pate BH, Xu LH. IR and FTMW-IR spectroscopy and vibrational relaxation pathways in the CH stretch region of CH3OH and CH3OD. The Journal of Physical Chemistry. A. 115: 9748-63. PMID 21667993 DOI: 10.1021/Jp202020U  0.813
2011 Elmuti LF, Peebles RA, Peebles SA, Steber AL, Neill JL, Pate BH. Observation of a double C-H···π interaction in the CH2ClF···HCCH weakly bound complex. Physical Chemistry Chemical Physics : Pccp. 13: 14043-9. PMID 21597626 DOI: 10.1039/C1Cp20684B  0.792
2011 Neill JL, Steber AL, Muckle MT, Zaleski DP, Lattanzi V, Spezzano S, McCarthy MC, Remijan AJ, Friedel DN, Widicus Weaver SL, Pate BH. Spatial distributions and interstellar reaction processes. The Journal of Physical Chemistry. A. 115: 6472-80. PMID 21591798 DOI: 10.1021/Jp200539B  0.795
2011 Neill JL, Douglass KO, Pate BH, Pratt DW. Next generation techniques in the high resolution spectroscopy of biologically relevant molecules. Physical Chemistry Chemical Physics : Pccp. 13: 7253-62. PMID 21394332 DOI: 10.1039/C0Cp01573C  0.841
2011 Bird RG, Neill JL, Alstadt VJ, Young JW, Pate BH, Pratt DW. Ground state 14N quadrupole couplings in the microwave spectra of N,N'-dimethylaniline and 4,4'-dimethylaminobenzonitrile. The Journal of Physical Chemistry. A. 115: 9392-8. PMID 21341819 DOI: 10.1021/Jp111075R  0.695
2011 Shipman ST, Neill JL, Suenram RD, Muckle MT, Pate BH. Structure determination of strawberry aldehyde by broadband microwave spectroscopy: Conformational stabilization by dispersive interactions Journal of Physical Chemistry Letters. 2: 443-448. DOI: 10.1021/Jz200031W  0.822
2011 Neill JL, Shipman ST, Alvarez-Valtierra L, Lesarri A, Kisiel Z, Pate BH. Rotational spectroscopy of iodobenzene and iodobenzene-neon with a direct digital 2-8 GHz chirped-pulse Fourier transform microwave spectrometer Journal of Molecular Spectroscopy. 269: 21-29. DOI: 10.1016/J.Jms.2011.04.016  0.831
2011 Bills BJ, Elmuti LF, Sanders AJ, Steber AL, Peebles RA, Peebles SA, Groner P, Neill JL, Muckle MT, Pate BH. C-H⋯O interaction and water tunneling in the CHClF 2-H2O dimer Journal of Molecular Spectroscopy. 268: 7-15. DOI: 10.1016/J.Jms.2011.03.029  0.833
2010 Sexton JM, Elliott AA, Steber AL, Peebles SA, Peebles RA, Neill JL, Muckle MT, Pate BH. Characterization of C-H...π interactions in the structure of the CHClF(2)-HCCH weakly bound complex. Physical Chemistry Chemical Physics : Pccp. 12: 14263-70. PMID 20886143 DOI: 10.1039/C0Cp00924E  0.819
2010 Lesarri A, Shipman ST, Neill JL, Brown GG, Suenram RD, Kang L, Caminati W, Pate BH. Interplay of phenol and isopropyl isomerism in propofol from broadband chirped-pulse microwave spectroscopy. Journal of the American Chemical Society. 132: 13417-24. PMID 20822132 DOI: 10.1021/Ja104950W  0.831
2010 Twagirayezu S, Clasp TN, Perry DS, Neill JL, Muckle MT, Pate BH. Vibrational coupling pathways in methanol as revealed by coherence-converted population transfer Fourier transform microwave infrared double-resonance spectroscopy. The Journal of Physical Chemistry. A. 114: 6818-28. PMID 20527865 DOI: 10.1021/Jp1019735  0.816
2009 Plusquellic DF, Lovas FJ, Pate BH, Neill JL, Muckle MT, Remijan AJ. Distinguishing tunneling pathways for two chiral conformer pairs of 1,3-propanediol from the microwave spectrum. The Journal of Physical Chemistry. A. 113: 12911-8. PMID 19824681 DOI: 10.1021/Jp907564Y  0.827
2009 Suenram RD, Pate BH, Lesarri A, Neill JL, Shipman S, Holmes RA, Leyden MC, Craig NC. Semiexperimental equilibrium structure for the C6 backbone of cis-1,3,5-hexatriene; structural evidence for greater pi-electron delocalization with increasing chain length in polyenes. The Journal of Physical Chemistry. A. 113: 1864-8. PMID 19196001 DOI: 10.1021/Jp8106777  0.827
2009 Kisiel Z, Kraśnicki A, Pszczółkowski L, Shipman ST, Alvarez-Valtierra L, Pate BH. Assignment and analysis of the rotational spectrum of bromoform enabled by broadband FTMW spectroscopy Journal of Molecular Spectroscopy. 257: 177-186. DOI: 10.1016/J.Jms.2009.08.006  0.744
2009 Lovas FJ, Plusquellic DF, Pate BH, Neill JL, Muckle MT, Remijan AJ. Microwave spectrum of 1,2-propanediol Journal of Molecular Spectroscopy. 257: 82-93. DOI: 10.1016/J.Jms.2009.06.013  0.833
2008 Dian BC, Brown GG, Douglass KO, Rees FS, Johns JE, Nair P, Suenram RD, Pate BH. Conformational isomerization kinetics of pent-1-en-4-yne with 3,330 cm-1 of internal energy measured by dynamic rotational spectroscopy. Proceedings of the National Academy of Sciences of the United States of America. 105: 12696-700. PMID 18678910 DOI: 10.1073/Pnas.0800520105  0.847
2008 Brown GG, Dian BC, Douglass KO, Geyer SM, Shipman ST, Pate BH. A broadband Fourier transform microwave spectrometer based on chirped pulse excitation. The Review of Scientific Instruments. 79: 053103. PMID 18513057 DOI: 10.1063/1.2919120  0.808
2008 Dian BC, Brown GG, Douglass KO, Pate BH. Measuring picosecond isomerization kinetics via broadband microwave spectroscopy. Science (New York, N.Y.). 320: 924-8. PMID 18487191 DOI: 10.1126/Science.1155736  0.849
2008 Pajski JJ, Logan MD, Douglass KO, Brown GG, Dian BC, Pate BH, Suenram RD. Chirped-pulse fourier transform microwave spectroscopy: A new technique for rapid identification of chemical agents International Journal of High Speed Electronics and Systems. 18: 31-45. DOI: 10.1142/S0129156408005114  0.813
2008 Tubergen MJ, Conrad AR, Chavez RE, Hwang I, Suenram RD, Pajski JJ, Pate BH. Gas-phase conformational distributions for the 2-alkylalcohols 2-pentanol and 2-hexanol from microwave spectroscopy Journal of Molecular Spectroscopy. 251: 330-338. DOI: 10.1016/J.Jms.2008.03.020  0.309
2007 Shipman ST, Douglass PC, Yoo HS, Hinkle CE, Mierzejewski EL, Pate BH. Vibrational dynamics of carboxylic acid dimers in gas and dilute solution. Physical Chemistry Chemical Physics : Pccp. 9: 4572-86. PMID 17690783 DOI: 10.1039/B704900E  0.814
2006 Fisher JM, Xu LH, Suenram RD, Pate B, Douglass K. Conformational isomerism in 1-heptanal Journal of Molecular Structure. 795: 143-154. DOI: 10.1016/J.Molstruc.2006.02.049  0.664
2006 Douglass KO, Johns JE, Nair PM, Brown GG, Rees FS, Pate BH. Applications of Fourier transform microwave (FTMW) detected infrared-microwave double-resonance spectroscopy to problems in vibrational dynamics Journal of Molecular Spectroscopy. 239: 29-40. DOI: 10.1016/J.Jms.2006.05.015  0.848
2006 Brown GG, Dian BC, Douglass KO, Geyer SM, Pate BH. The rotational spectrum of epifluorohydrin measured by chirped-pulse Fourier transform microwave spectroscopy Journal of Molecular Spectroscopy. 238: 200-212. DOI: 10.1016/J.Jms.2006.05.003  0.841
2005 Douglass KO, Rees FS, Suenram RD, Pate BH, Leonov I. Rotational spectroscopy of the first excited state of the acetylenic C-H stretch of 3-fluoropropyne performed by infrared-Fourier transform microwave-microwave triple-resonance spectroscopy Journal of Molecular Spectroscopy. 230: 62-71. DOI: 10.1016/J.Jms.2004.10.007  0.842
2004 Douglass KO, Dian BC, Brown GG, Johns JE, Nair PM, Pate BH. Motional narrowing of the rotational spectrum of trifluoropropyne at 6550 cm(-1) by intramolecular vibrational energy redistribution. The Journal of Chemical Physics. 121: 6845-54. PMID 15473742 DOI: 10.1063/1.1780164  0.838
2004 Yoo HS, DeWitt MJ, Pate BH. Vibrational dynamics of terminal acetylenes: II. Pathway for vibrational relaxation in gas and solution Journal of Physical Chemistry A. 108: 1365-1379. DOI: 10.1021/Jp027546N  0.632
2004 Yoo HS, McWhorter DA, Pate BH. Vibrational dynamics of terminal acetylenes: III. Comparison of the acetylenic C-H stretch intramolecular vibrational-energy redistribution rates in ultracold molecular beams, room-temperature gases, and room-temperature dilute solutions Journal of Physical Chemistry A. 108: 1380-1387. DOI: 10.1021/Jp0275443  0.824
2004 Yoo HS, DeWitt MJ, Pate BH. Vibrational dynamics of terminal acetylenes: I. Comparison of the intramolecular vibrational energy redistribution rate of gases and the total relaxation rate of dilute solutions at room temperature Journal of Physical Chemistry A. 108: 1348-1364. DOI: 10.1021/Jp027543A  0.619
2003 Keske JC, Rees FS, Suenram RD, Pate BH. Structure and vibrational dynamics of the halogen-substituted butynes HC≡CCH2CH2X (X = F,Cl,Br) from molecular-beam high-resolution microwave and infrared spectroscopy Physical Chemistry Chemical Physics. 5: 1599-1609. DOI: 10.1039/B211597B  0.852
2003 Douglass KO, Keske JC, Rees FS, Welch K, Yoo HS, Pate BH, Leonov I, Suenram RD. Rotational spectroscopy of vibrationally excited states by infrared-Fourier transform microwave-microwave triple-resonance spectroscopy Chemical Physics Letters. 376: 548-556. DOI: 10.1016/S0009-2614(03)01018-2  0.823
2001 Engelhardt C, Keske JC, Rees FS, Self-Medlin YB, Yoo HS, Pate BH. Very slow intramolecular vibrational energy redistribution (IVR) for molecules in planar conformations Journal of Physical Chemistry A. 105: 6800-6807. DOI: 10.1021/Jp010300I  0.805
2001 Keske JC, Pate BH. High-sensitivity infrared-microwave-microwave triple-resonance spectroscopy of isomerizing molecules Chemical Physics Letters. 342: 51-57. DOI: 10.1016/S0009-2614(01)00516-4  0.828
2000 Keske JC, Pate BH. Decoding the dynamical information embedded in highly mixed quantum states. Annual Review of Physical Chemistry. 51: 323-53. PMID 11031285 DOI: 10.1146/Annurev.Physchem.51.1.323  0.818
2000 Keske J, McWhorter DA, Pate BH. Molecular rotation in the presence of intramolecular vibrational energy redistribution International Reviews in Physical Chemistry. 19: 363-407. DOI: 10.1080/01442350050034171  0.824
1999 McWhorter DA, Pate BH. Intramolecular Vibrational Dynamics of the Asymmetric &dbond;CH2 Hydride Stretch of Isobutene. Journal of Molecular Spectroscopy. 193: 159-165. PMID 9878496 DOI: 10.1006/Jmsp.1998.7733  0.836
1999 McWhorter DA, Cupp SB, Lee CY, Pate BH. Molecular-Beam Electric-Resonance Optothermal Spectroscopy Study of the Rotational Spectrum of the Less Stable Conformer of Methyl Vinyl Ether. Journal of Molecular Spectroscopy. 193: 150-158. PMID 9878495 DOI: 10.1006/Jmsp.1998.7711  0.841
1999 Ortigoso J, Fraser GT, Pate BH. Pendular states of highly vibrationally excited molecules Physical Review Letters. 82: 2856-2859. DOI: 10.1103/Physrevlett.82.2856  0.401
1999 Green D, Hammond S, Keske J, Pate BH. Intramolecular vibrational energy redistribution and conformational isomerization in vibrationally excited 2-fluoroethanol: High-resolution, microwave-infrared double-resonance spectroscopy investigation of the asymmetric -CH2(F) stretch near 2980 cm-1 Journal of Chemical Physics. 110: 1979-1989. DOI: 10.1063/1.477975  0.843
1999 McWhorter DA, Hudspeth E, Pate BH. The rotational spectra of single molecular eigenstates of 2-fluoroethanol: Measurement of the conformational isomerization rate at 2980 cm-1 Journal of Chemical Physics. 110: 2000-2009. DOI: 10.1063/1.477865  0.852
1999 Pate BH. The rotational spectrum of a highly vibrationally mixed quantum state. II. The eigenstate-resolved spectroscopy analog to dynamic nuclear magnetic resonance spectroscopy Journal of Chemical Physics. 110: 1990-1999. DOI: 10.1063/1.477864  0.481
1999 McWhorter DA, Pate BH. Intramolecular vibrational dynamics of the asymmetric =CH2 hydride stretch of isobutene Journal of Molecular Spectroscopy. 193: 159-165.  0.781
1998 Hudspeth E, McWhorter DA, Pate BH. Intramolecular vibrational energy redistribution in the acetylenic C-H and hydroxyl stretches of propynol Journal of Chemical Physics. 109: 4316-4326. DOI: 10.1063/1.477075  0.829
1998 Green D, Holmberg R, Lee CY, McWhorter DA, Pate BH. The rotational spectrum of highly vibrationally mixed quantum states of propynol near 3330 cm-1 Journal of Chemical Physics. 109: 4407-4414. DOI: 10.1063/1.477044  0.838
1998 Pate BH. The rotational spectrum of a highly vibrationally mixed quantum state. I. Intramolecular vibrational energy redistribution (IVR) exchange narrowing of the rotational spectrum Journal of Chemical Physics. 109: 4396-4406. DOI: 10.1063/1.477043  0.481
1998 Cupp S, Lee CY, McWhorter D, Pate BH. Doorway state enhanced intramolecular vibrational energy redistribution in the asymmetric cH2 hydride stretch of methyl vinyl ether Journal of Chemical Physics. 109: 4302-4315. DOI: 10.1063/1.477034  0.823
1998 Andrews AM, Fraser GT, Pate BH. Molecular-beam infrared-infrared double-resonance spectroscopy study of the vibrational dynamics of the acetylenic C-H stretch of propargyl amine Journal of Chemical Physics. 109: 4290-4301. DOI: 10.1063/1.477033  0.443
1998 McWhorter DA, Pate BH. Elucidating intramolecular vibrational coupling mechanisms by microwave spectroscopy of single vibrationally mixed quantum states: Coriolis and conformer interactions in allyl fluoride Journal of Physical Chemistry A. 102: 8795-8803. DOI: 10.1021/Jp982610F  0.841
1998 McWhorter DA, Pate BH. Conformational dependence of intramolecular vibrational energy redistribution in the ethylenic=CH2 stretch fundamental of allyl fluoride Journal of Physical Chemistry A. 102: 8786-8794. DOI: 10.1021/Jp982609G  0.826
1998 Lee CY, Pate BH. Dressed states of molecules and state focusing Chemical Physics Letters. 284: 369-376. DOI: 10.1016/S0009-2614(97)01422-X  0.349
1997 Hudspeth E, McWhorter DA, Pate BH. Structurally mixed molecular eigenstates of 2-fluoroethanol resulting from conformational isomerization Journal of Chemical Physics. 107: 8189-8192. DOI: 10.1063/1.475119  0.845
1997 Lee CY, Pate BH. Dressed states of molecules and microwave-infrared double-resonance spectroscopic techniques employing an electric quadrupole focusing field Journal of Chemical Physics. 107: 10430-10439. DOI: 10.1063/1.474207  0.41
1995 Andrews AM, Tretyakov MY, Pate BH, Fraser GT, Kleiner I. Fourier-transform infrared and jet-cooled diode-iaser spectra of the 867 cm-1 v9 band of acetaldehyde Molecular Physics. 84: 201-210. DOI: 10.1080/00268979500100151  0.421
1995 Stone SC, Miller CC, Philips LA, Andrews AM, Fraser GT, Pate BH, Xu LH. Infrared Spectra of the 10-μm Bands of 1,2-Difluoroethane and 1,1,2-Trifluoroethane: Vibrationally Mediated Torsional Tunneling in 1,1,2-Trifluoroethane Journal of Molecular Spectroscopy. 174: 297-318. DOI: 10.1006/Jmsp.1995.0004  0.309
1994 Lehmann KK, Scoles G, Pate BH. Intramolecular dynamics from eigenstate-resolved infrared spectra Annual Review of Physical Chemistry. 45: 241-274. DOI: 10.1146/Annurev.Pc.45.100194.001325  0.567
1994 Belov S, Fraser GT, Ortigoso J, Pate BH, Tretyakov MY. Electric resonance optothermal spectrum of the 920 cm-1 v14 + v15 torsional combination band of acetaldehyde Molecular Physics. 81: 359-368. DOI: 10.1080/00268979400100231  0.428
1994 Kerstel ERT, Pate BH, Mentel TF, Yang X, Scoles G. Sub-Doppler infrared spectroscopy of HCCCN-BF3 (v1) and HCN-BF3 (v1 and 2v1) Journal of Chemical Physics. 101: 2762-2771. DOI: 10.1063/1.468472  0.605
1994 Fraser GT, Pate BH. The molecular Stark effect in regions of high state density: Overall simplicity and underlying complexity in the response to a static electric field The Journal of Chemical Physics. 100: 6210-6220. DOI: 10.1063/1.467084  0.427
1994 Ainetschian A, Fraser GT, Ortigoso J, Pate BH. Contaminated torsional tunneling splittings in five normal-mode vibrations of propene The Journal of Chemical Physics. 100: 729-732. DOI: 10.1063/1.466939  0.41
1994 Miller CC, Philips LA, Andrews AM, Fraser GT, Pate BH, Suenram RD. Rotational spectrum of a dark state in 2-fluoroethanol using microwave/radio-frequency-infrared multiple resonance The Journal of Chemical Physics. 100: 831-839. DOI: 10.1063/1.466566  0.487
1994 McIlroy A, Nesbitt DJ, Kerstel ERT, Pate BH, Lehmann KK, Scoles G. Sub‐Doppler, infrared laser spectroscopy of the propyne 2ν1 band: Evidence of z‐axis Coriolis dominated intramolecular state mixing in the acetylenic CH stretch overtone The Journal of Chemical Physics. 100: 2596-2611. DOI: 10.1063/1.466456  0.674
1994 Kerstel ERT, Lehmann KK, Pate BH, Scoles G. Reinvestigation of the acetylenic C–H stretching fundamental of propyne via high resolution, optothermal infrared spectroscopy: Nonresonant perturbations to ν1 Journal of Chemical Physics. 100: 2588-2595. DOI: 10.1063/1.466455  0.685
1994 Andrews AM, Fraser GT, Pate BH. Observation of tunneling splittings in the 10 μm infrared spectra of cyclopropylamine and propargylamine Journal of Physical Chemistry. 98: 9979-9985. DOI: 10.1021/J100091A008  0.413
1994 Kerstel ERT, Lehmann KK, Pate BH, Scoles G. Reinvestigation of the acetylenic C-H stretching fundamental of propyne via high resolution, optothermal infrared spectroscopy: Nonresonant perturbations to ν1 The Journal of Chemical Physics. 100: 2588-2595.  0.529
1993 Fraser GT, Pine AS, Domenech JL, Pate BH. Molecular-beam spectrum of the 970 cm-1 Fermi triad of CF 3CH3 The Journal of Chemical Physics. 99: 2396-2404. DOI: 10.1063/1.465254  0.45
1993 Gambogi JE, L’Esperance RP, Lehmann KK, Pate BH, Scoles G. Influence of methyl group deuteration on the rate of intramolecular vibrational energy relaxation Journal of Chemical Physics. 98: 1116-1122. DOI: 10.1063/1.464336  0.694
1993 Gambogi JE, Lehmann KK, Pate BH, Scoles G, Yang X. The rate of intramolecular vibrational energy relaxation of the fundamental C–H stretch in (CF3)3C–C≡C–H Journal of Chemical Physics. 98: 1748-1749. DOI: 10.1063/1.464290  0.689
1993 Fraser GT, Pate BH. Molecules excited to regions of high state density are not deflected by an inhomogeneous electric field The Journal of Chemical Physics. 98: 2476-2480. DOI: 10.1063/1.464178  0.409
1993 Karyakin EN, Fraser GT, Pate BH, Suenram RD. Electric-Resonance Optothermal Spectrum of the Ka = 1 ← 0 Band of DHO-DOD: Direct Observation of the 1 → 4 Tunneling Splitting Journal of Molecular Spectroscopy. 161: 312-316. DOI: 10.1006/Jmsp.1993.1237  0.34
1993 Gambogi JE, Lehmann KK, Pate BH, Scoles G, Yang X. The rate of intramolecular vibrational energy relaxation of the fundamental C-H stretch in (CF3)3C-C≡C-H The Journal of Chemical Physics. 98: 1748-1749.  0.493
1993 Gambogi JE, L'Esperance RP, Lehmann KK, Pate BH, Scoles G. Influence of methyl group deuteration on the rate of intramolecular vibrational energy relaxation The Journal of Chemical Physics. 98: 1116-1122.  0.493
1991 Lehmann KK, Pate BH, Scoles G. On the Measurement of the Rate of Intramolecular Vibrational Energy Redistribution via High Resolution Molecular Beam Optothermal Spectroscopy Laser Chemistry. 11: 237-245. DOI: 10.1155/Lc.11.237  0.682
1991 Pate BH, Lehmann KK, Scoles G. The onset of intramolecular vibrational energy redistribution and its intermediate case: The ν1and 2ν1molecular beam, optothermal spectra of trifluoropropyne The Journal of Chemical Physics. 95: 3891-3916. DOI: 10.1063/1.460796  0.704
1991 Kerstel ERT, Lehmann KK, Mentel TF, Pate BH, Scoles G. Dependence of intramolecular vibrational relaxation on central atom substitution: .nu.1 and 2.nu.1 molecular beam optothermal spectra of 3,3-dimethyl-1-butyne and trimethylsilylacetylene The Journal of Physical Chemistry. 95: 8282-8293. DOI: 10.1021/J100174A050  0.644
1991 Pate BH, Lehmann KK, Scoles G. The onset of intramolecular vibrational energy redistribution and its intermediate case: The v1 and 2v1 molecular beam, optothermal spectra of trifluoropropyne The Journal of Chemical Physics. 95: 3891-3916.  0.495
1990 Lehmann KK, Pate BH, Scoles G. Statistical intramolecular vibrational relaxation and its hindrance: The fundamentals of (CH3)3C–C≡CH and (CH3)3Si–C≡CH Journal of Chemical Physics. 93: 2152-2153. DOI: 10.1063/1.459042  0.661
1990 Levandier DJ, Goyal S, McCombie J, Pate B, Scoles G. Infrared spectroscopy and dimer formation at the surface of medium-large argon clusters Journal of the Chemical Society, Faraday Transactions. 86: 2361. DOI: 10.1039/Ft9908602361  0.51
1990 Lehmann KK, Pate BH, Scoles G. Eigenstate-resolved ν1 spectrum of CF3CCH: Anharmonic couplings to the bath Journal of the Chemical Society, Faraday Transactions. 86: 2071-2072. DOI: 10.1039/Ft9908602071  0.672
1990 Lehmann KK, Pate BH. G162: Molecular symmetry group for t-butane and other three equivalent methyl molecules Journal of Molecular Spectroscopy. 144: 443-445. DOI: 10.1016/0022-2852(90)90229-J  0.467
1990 Lehmann KK, Pate BH, Scoles G. Statistical intramolecular vibrational relaxation and its hindrance: The fundamentals of (CH3)3C-C≡CH and (CH 3)3Si-C≡CH The Journal of Chemical Physics. 93: 2152-2153.  0.457
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