Year |
Citation |
Score |
2023 |
Changala PB, Genossar-Dan N, Brudner E, Gur T, Baraban JH, McCarthy MC. Structural and electronic trends of optical cycling centers in polyatomic molecules revealed by microwave spectroscopy of MgCCH, CaCCH, and SrCCH. Proceedings of the National Academy of Sciences of the United States of America. 120: e2303586120. PMID 37399375 DOI: 10.1073/pnas.2303586120 |
0.382 |
|
2020 |
Genossar N, Porterfield JP, Baraban JH. Decomposition of the simplest ketohydroperoxide in the ozonolysis of ethylene. Physical Chemistry Chemical Physics : Pccp. 22: 16949-16955. PMID 32672775 DOI: 10.1039/D0Cp02798G |
0.384 |
|
2020 |
Hemberger P, Pan Z, Bodi A, van Bokhoven JA, Ormond TK, Ellison GB, Genossar N, Baraban JH. On the Threshold Photoelectron Spectrum of Fulvenone, a Reactive Ketene Derivative in Lignin Valorization. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 32628323 DOI: 10.1002/Cphc.202000477 |
0.591 |
|
2020 |
Martin-Drumel MA, Porterfield JP, Goubet M, Asselin P, Georges R, Soulard P, Nava M, Changala B, Billinghurst BE, Pirali O, McCarthy MC, Baraban JH. Synchrotron-Based High Resolution Far-Infrared Spectroscopy of -Butadiene. The Journal of Physical Chemistry. A. PMID 32118434 DOI: 10.1021/Acs.Jpca.0C00623 |
0.511 |
|
2019 |
Prozument K, Baraban JH, Changala PB, Park GB, Shaver RG, Muenter JS, Klippenstein SJ, Chernyak VY, Field RW. Photodissociation transition states characterized by chirped pulse millimeter wave spectroscopy. Proceedings of the National Academy of Sciences of the United States of America. PMID 31852828 DOI: 10.1073/Pnas.1911326116 |
0.724 |
|
2019 |
Thorpe JH, Lopez CA, Nguyen TL, Baraban JH, Bross DH, Ruscic B, Stanton JF. High-accuracy extrapolated ab initio thermochemistry. IV. A modified recipe for computational efficiency. The Journal of Chemical Physics. 150: 224102. PMID 31202223 DOI: 10.1063/1.5095937 |
0.32 |
|
2019 |
Porterfield JP, Westerfield JH, Satterthwaite L, Patterson D, Changala B, Baraban JH, McCarthy MC. Rotational Characterization of the Elusive Gauche-Isoprene. The Journal of Physical Chemistry Letters. PMID 30897904 DOI: 10.1021/Acs.Jpclett.9B00411 |
0.516 |
|
2019 |
McCarthy MC, Martin-Drumel MA, Baraban J, Changala PB, Stanton J. The hunt for elusive molecules: Insights from joint theoretical and experimental investigations. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 30673130 DOI: 10.1002/Chem.201805986 |
0.488 |
|
2019 |
Martin‐Drumel M, Baraban JH, Changala PB, Stanton JF, McCarthy MC. Frontispiece: The Hunt for Elusive Molecules: Insights from Joint Theoretical and Experimental Investigations Chemistry – a European Journal. 25. DOI: 10.1002/Chem.201983062 |
0.413 |
|
2018 |
Ormond TK, Baraban JH, Porterfield JP, Scheer AM, Hemberger P, Troy TP, Ahmed M, Nimlos MR, Robichaud DJ, Daily JW, Ellison GB. Thermal Decompositions of the Lignin Model Compounds: Salicylaldehyde and Catechol. The Journal of Physical Chemistry. A. PMID 29893563 DOI: 10.1021/Acs.Jpca.8B03201 |
0.694 |
|
2018 |
Wiberg KB, Rablen PR, Baraban JH. Butadiene and Heterodienes Revisited. The Journal of Organic Chemistry. PMID 29864288 DOI: 10.1021/Acs.Joc.8B01085 |
0.474 |
|
2018 |
Baraban JH, Changala PB, Stanton JF. The equilibrium structure of hydrogen peroxide Journal of Molecular Spectroscopy. 343: 92-95. DOI: 10.1016/J.Jms.2017.09.014 |
0.372 |
|
2017 |
Baraban J, Martin-Drumel MA, Changala PB, Eibenberger S, Nava M, Patterson D, Stanton JF, Ellison GB, McCarthy MC. The molecular structure of gauche-1,3-butadiene: Experimental proof of non-planarity. Angewandte Chemie (International Ed. in English). PMID 29239124 DOI: 10.1002/Anie.201709966 |
0.606 |
|
2017 |
Changala PB, Nguyen TL, Baraban JH, Ellison GB, Stanton JF, Bross DH, Ruscic B. Active Thermochemical Tables: The Adiabatic Ionization Energy of Hydrogen Peroxide. The Journal of Physical Chemistry. A. PMID 28877582 DOI: 10.1021/Acs.Jpca.7B06221 |
0.538 |
|
2017 |
Couch DE, Buckingham GT, Baraban JH, Porterfield JP, Wooldridge LA, Ellison GB, Kapteyn HC, Murnane MM, Peters WK. Tabletop Femtosecond VUV Photoionization and PEPICO Detection of Microreactor Pyrolysis Products. The Journal of Physical Chemistry. A. PMID 28661692 DOI: 10.1021/Acs.Jpca.7B02821 |
0.541 |
|
2017 |
Porterfield JP, Bross DH, Ruscic B, Thorpe JH, Nguyen TL, Baraban JH, Stanton JF, Daily JW, Ellison GB. Thermal Decomposition of Potential Ester Biofuels Part I: Methyl Acetate and Methyl Butanoate. The Journal of Physical Chemistry. A. PMID 28517940 DOI: 10.1021/Acs.Jpca.7B02639 |
0.548 |
|
2017 |
Tranter RS, Kastengren AL, Porterfield JP, Randazzo JB, Lockhart JP, Baraban JH, Ellison GB. Measuring flow profiles in heated miniature reactors with X-ray fluorescence spectroscopy Proceedings of the Combustion Institute. 36: 4603-4610. DOI: 10.1016/j.proci.2016.06.104 |
0.417 |
|
2016 |
Changala PB, Baraban JH. Ab initio effective rotational and rovibrational Hamiltonians for non-rigid systems via curvilinear second order vibrational Møller-Plesset perturbation theory. The Journal of Chemical Physics. 145: 174106. PMID 27825226 DOI: 10.1063/1.4966234 |
0.361 |
|
2016 |
Baraban JH, Matthews DA, Stanton JF. Communication: An accurate calculation of the S1 C2H2 cis-trans isomerization barrier height. The Journal of Chemical Physics. 144: 111102. PMID 27004854 DOI: 10.1063/1.4943865 |
0.415 |
|
2016 |
Porterfield JP, Baraban JH, Troy TP, Ahmed M, McCarthy MC, Morgan KM, Daily JW, Nguyen TL, Stanton JF, Ellison GB. Pyrolysis of the Simplest Carbohydrate, Glycolaldehyde (CHO-CH2OH), and Glyoxal in a Heated Micro-Reactor. The Journal of Physical Chemistry. A. PMID 26979134 DOI: 10.1021/Acs.Jpca.6B00652 |
0.619 |
|
2016 |
Baraban JH, David DE, Ellison GB, Daily JW. An optically accessible pyrolysis microreactor. The Review of Scientific Instruments. 87: 014101. PMID 26827331 DOI: 10.1063/1.4939459 |
0.498 |
|
2015 |
Cernicharo J, McCarthy MC, Gottlieb CA, Agúndez M, Velilla Prieto L, Baraban JH, Changala PB, Guélin M, Kahane C, Martin-Drumel MA, Patel NA, Reilly NJ, Stanton JF, Quintana-Lacaci G, Thorwirth S, et al. Discovery of SiCSi in IRC +10216: A missing link between gas and dust carriers of Si-C bonds. The Astrophysical Journal. Letters. 806. PMID 26722621 DOI: 10.1088/2041-8205/806/1/L3 |
0.437 |
|
2015 |
Baraban JH, Changala PB, Mellau GC, Stanton JF, Merer AJ, Field RW. Spectroscopic characterization of isomerization transition states. Science (New York, N.Y.). 350: 1338-1342. PMID 26659051 DOI: 10.1126/Science.Aac9668 |
0.588 |
|
2015 |
Porterfield JP, Nguyen TL, Baraban JH, Buckingham GT, Troy TP, Kostko O, Ahmed M, Stanton JF, Daily JW, Ellison GB. Isomerization and Fragmentation of Cyclohexanone in a Heated Micro-Reactor. The Journal of Physical Chemistry. A. PMID 26617252 DOI: 10.1021/Acs.Jpca.5B10984 |
0.587 |
|
2015 |
Nguyen TL, Baraban JH, Ruscic B, Stanton JF. On the HCN - HNC Energy Difference. The Journal of Physical Chemistry. A. 119: 10929-34. PMID 26447346 DOI: 10.1021/Acs.Jpca.5B08406 |
0.378 |
|
2015 |
Oliveira AM, Lu YJ, Lehman JH, Changala PB, Baraban JH, Stanton JF, Lineberger WC. Photoelectron Spectroscopy of the Methide Anion: Electron Affinities of (•)CH3 and (•)CD3 and Inversion Splittings of CH3(-) and CD3(.) Journal of the American Chemical Society. PMID 26389796 DOI: 10.1021/Jacs.5B07013 |
0.428 |
|
2015 |
Changala PB, Baraban JH, Merer AJ, Field RW. Probing cis-trans isomerization in the S1 state of C2H2 via H-atom action and hot band-pumped IR-UV double resonance spectroscopies. The Journal of Chemical Physics. 143: 084310. PMID 26328846 DOI: 10.1063/1.4929588 |
0.616 |
|
2015 |
Steeves AH, Park GB, Bechtel HA, Baraban JH, Field RW. Communication: Observation of local-bender eigenstates in acetylene. The Journal of Chemical Physics. 143: 071101. PMID 26298106 DOI: 10.1063/1.4928638 |
0.59 |
|
2015 |
McCarthy MC, Baraban JH, Changala PB, Stanton JF, Martin-Drumel MA, Thorwirth S, Gottlieb CA, Reilly NJ. Discovery of a Missing Link: Detection and Structure of the Elusive Disilicon Carbide Cluster. The Journal of Physical Chemistry Letters. 6: 2107-11. PMID 26266510 DOI: 10.1021/Acs.Jpclett.5B00770 |
0.462 |
|
2015 |
Thompson MC, Baraban JH, Matthews DA, Stanton JF, Weber JM. Heavy atom vibrational modes and low-energy vibrational autodetachment in nitromethane anions. The Journal of Chemical Physics. 142: 234304. PMID 26093556 DOI: 10.1063/1.4922609 |
0.433 |
|
2015 |
Reilly NJ, Changala PB, Baraban JH, Kokkin DL, Stanton JF, McCarthy MC. Communication: The ground electronic state of Si2C: Rovibrational level structure, quantum monodromy, and astrophysical implications. The Journal of Chemical Physics. 142: 231101. PMID 26093543 DOI: 10.1063/1.4922651 |
0.53 |
|
2015 |
Park GB, Steeves AH, Baraban JH, Field RW. Simplified Cartesian basis model for intrapolyad emission intensities in the bent-to-linear electronic transition of acetylene. The Journal of Physical Chemistry. A. 119: 857-65. PMID 25625552 DOI: 10.1021/Jp5113608 |
0.603 |
|
2015 |
Golibrzuch K, Baraban JH, Shirhatti PR, Werdecker J, Bartels C, Wodtke AM. Observation of Translation-to-Vibration Excitation in Acetylene Scattering from Au(111): A REMPI Based Approach Zeitschrift Fur Physikalische Chemie. 229: 1929-1949. DOI: 10.1515/Zpch-2015-0606 |
0.32 |
|
2014 |
Park GB, Baraban JH, Field RW. Full dimensional Franck-Condon factors for the acetylene à (1)Au-X̃ (1)Σ(g)(+) transition. II. Vibrational overlap factors for levels involving excitation in ungerade modes. The Journal of Chemical Physics. 141: 134305. PMID 25296804 DOI: 10.1063/1.4896533 |
0.628 |
|
2014 |
Changala PB, Baraban JH, Stanton JF, Merer AJ, Field RW. Reduced dimension rovibrational variational calculations of the S(1) state of C2H2. II. The S(1) rovibrational manifold and the effects of isomerization. The Journal of Chemical Physics. 140: 024313. PMID 24437883 DOI: 10.1063/1.4859876 |
0.595 |
|
2013 |
Jiang J, Baraban JH, Park GB, Clark ML, Field RW. Laser-induced fluorescence study of the S1 state of doubly-substituted 13C acetylene and harmonic force field determination. The Journal of Physical Chemistry. A. 117: 13696-703. PMID 24007237 DOI: 10.1021/Jp407755M |
0.585 |
|
2013 |
Lee H, Baraban JH, Field RW, Stanton JF. High-accuracy estimates for the vinylidene-acetylene isomerization energy and the ground state rotational constants of :C═CH2. The Journal of Physical Chemistry. A. 117: 11679-83. PMID 23621573 DOI: 10.1021/Jp400035A |
0.57 |
|
2012 |
Baraban JH, Changala PB, Merer AJ, Steeves AH, Bechtel HA, Field RW. The à 1Au state of acetylene: Ungerade vibrational levels in the region 45,800-46,550 cm-1 Molecular Physics. 110: 2707-2723. DOI: 10.1080/00268976.2012.706329 |
0.591 |
|
2012 |
Baraban JH, Stanton JF, Merer AJ, Field RW. Anharmonic force fields of cis- and trans-S1 C2H 2 Molecular Physics. 110: 2725-2733. DOI: 10.1080/00268976.2012.706328 |
0.549 |
|
2011 |
Baraban JH, Beck AR, Steeves AH, Stanton JF, Field RW. Reduced dimension discrete variable representation study of cis-trans isomerization in the S1 state of C2H2. The Journal of Chemical Physics. 134: 244311. PMID 21721634 DOI: 10.1063/1.3570823 |
0.595 |
|
2011 |
Merer AJ, Steeves AH, Baraban JH, Bechtel HA, Field RW. Cis-trans isomerization in the S1 state of acetylene: identification of cis-well vibrational levels. The Journal of Chemical Physics. 134: 244310. PMID 21721633 DOI: 10.1063/1.3599091 |
0.595 |
|
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