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Esther J. Ocola, Ph.D. - Publications

Affiliations: 
2011 Texas A & M University, College Station, TX, United States 
Area:
Molecular Chemistry
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27 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
2022 McFadden TMC, Moon N, Marshall FE, Duerden AJ, Ocola EJ, Laane J, Guirgis GA, Grubbs GS. The molecular structure and curious motions in 1,1-difluorosilacyclopent-3-ene and silacyclopent-3-ene as determined by microwave spectroscopy and quantum chemical calculations. Physical Chemistry Chemical Physics : Pccp. PMID 35022647 DOI: 10.1039/d1cp04286f  0.607
2021 Ocola EJ, Laane J. Spectroscopic and Theoretical Study of the Intramolecular π-Type Hydrogen Bonding and Conformations of 2-Cyclopenten-1-ol. Molecules (Basel, Switzerland). 26. PMID 33669788 DOI: 10.3390/molecules26041106  0.662
2020 Ocola EJ, Laane J. Anomeric Effect in Five-Membered Ring Molecules: Comparison of Theoretical Computations and Experimental Spectroscopic Results. The Journal of Physical Chemistry. A. PMID 33356270 DOI: 10.1021/acs.jpca.0c10158  0.66
2020 McFadden T, Marshall FE, Ocola EJ, Laane J, Guirgis GA, Grubbs Ii GS. Theoretical Calculations, Microwave Spectroscopy, and Ring-Puckering Vibrations of 1,1-Dihalosilacyclopent-2-enes. The Journal of Physical Chemistry. A. PMID 32915569 DOI: 10.1021/Acs.Jpca.0C07250  0.701
2020 Ocola EJ, Laane J. Spectroscopic and Theoretical Study of the Intramolecular π-Type Hydrogen Bonding and Conformations of 3-Cyclopentene-1-amine. The Journal of Physical Chemistry. A. 124: 5907-5916. PMID 32579361 DOI: 10.1021/acs.jpca.0c04558  0.724
2020 Ocola EJ, Laane J. Ring-puckering potential energy functions for cyclobutane and related molecules based on refined kinetic energy expansions and theoretical calculations Chemical Physics. 532: 110647. DOI: 10.1016/J.Chemphys.2019.110647  0.695
2018 Ocola EJ, Wieding LA, Adams S, Laane J. Theoretical Study of the Structures and the Ring-Puckering Potential Energy Functions of Bicylo[3.1.0]Hexane and Related Molecules. The Journal of Physical Chemistry. A. PMID 29923719 DOI: 10.1021/Acs.Jpca.8B04930  0.697
2018 Shutov AD, Yi Z, Wang J, Sinyukov AM, He Z, Tang C, Chen J, Zhang Z, Ocola EJ, Laane J, Sokolov AV, Voronine DV, Scully MO. Coherent Anti-Stokes Raman Scattering Enhanced by MoS2 Nanoparticles Frontiers in Optics. DOI: 10.1364/Fio.2018.Jw3A.40  0.517
2018 Ocola EJ, Laane J. Theoretical investigation of intramolecular π-type hydrogen bonding and internal rotation of 2-cyclopropen-1-ol, 2-cyclopropen-1-thiol and 2-cyclopropen-1-amine Molecular Physics. 117: 1404-1412. DOI: 10.1080/00268976.2018.1554192  0.634
2018 Shutov AD, Yi Z, Wang J, Sinyukov AM, He Z, Tang C, Chen J, Ocola EJ, Laane J, Sokolov AV, Voronine DV, Scully MO. Giant Chemical Surface Enhancement of Coherent Raman Scattering on MoS2 Acs Photonics. 5: 4960-4968. DOI: 10.1021/Acsphotonics.8B01136  0.513
2017 Chun HJ, Ocola EJ, Laane J. Ring-Puckering Potential Energy Functions for Trimethylene Sulfide and Its Monovalent Cation. The Journal of Physical Chemistry. A. PMID 28350164 DOI: 10.1021/Acs.Jpca.7B01659  0.677
2016 Long BE, Arsenault EA, Obenchain DA, Choi YJ, Ocola EJ, Laane J, Pringle WC, Cooke SA. Microwave Spectra, Structure, and Ring Puckering Vibration of Octafluorocyclopentene. The Journal of Physical Chemistry. A. PMID 27700086 DOI: 10.1021/Acs.Jpca.6B07554  0.695
2016 Chun HJ, Ocola EJ, Laane J. Vapor-Phase Raman Spectra and the Barrier to Planarity of Cyclohexane. The Journal of Physical Chemistry. A. PMID 27643522 DOI: 10.1021/Acs.Jpca.6B08727  0.669
2016 Ocola EJ, Laane J. Internal Rotation of Methylcyclopropane and Related Molecules: Comparison of Experiment and Theory. The Journal of Physical Chemistry. A. PMID 27571027 DOI: 10.1021/Acs.Jpca.6B06783  0.687
2016 Ocola EJ, Laane J. Spectroscopic and Theoretical Study of the Intramolecular π-Type Hydrogen Bonding and Conformations of 2-Cyclohexen-1-ol. The Journal of Physical Chemistry. A. 120: 74-80. PMID 26652737 DOI: 10.1021/Acs.Jpca.5B11114  0.722
2016 Chun HJ, Ocola EJ, Laane J. Vapor-phase infrared and Raman spectra and ab-initio calculations of the axial and equatorial forms of cyclohexane-d1 and d11 Journal of Molecular Spectroscopy. 329: 43-45. DOI: 10.1016/J.Jms.2016.09.011  0.644
2015 Ocola EJ, Shin HW, Laane J. Infrared and Raman spectra and theoretical calculations for benzocyclobutane in its electronic ground state. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 136: 58-63. PMID 24507997 DOI: 10.1016/J.Saa.2013.12.077  0.71
2014 Shin HW, Ocola EJ, Kim S, Laane J. Fluorescence excitation and ultraviolet absorption spectra and theoretical calculations for benzocyclobutane: vibrations and structure of its excited S(1)(π,π(*)) electronic state. The Journal of Chemical Physics. 140: 034305. PMID 25669377 DOI: 10.1063/1.4858412  0.627
2014 Ocola EJ, Medders C, Cooke JM, Laane J. Vibrational spectra, theoretical calculations, and structure of 4-silaspiro(3,3)heptane. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 130: 397-401. PMID 24810025 DOI: 10.1016/J.Saa.2014.03.131  0.712
2014 Ocola EJ, Medders C, Meinander N, Laane J. Theoretical calculations and vibrational potential energy surface of 4-silaspiro(3,3)heptane. The Journal of Chemical Physics. 140: 164315. PMID 24784278 DOI: 10.1063/1.4871364  0.664
2014 Egawa T, Shinashi K, Ueda T, Ocola EJ, Chiang WY, Laane J. Vapor-phase Raman spectra, theoretical calculations, and the vibrational and structural properties of cis- and trans-stilbene. The Journal of Physical Chemistry. A. 118: 1103-12. PMID 24409818 DOI: 10.1021/Jp410271H  0.73
2012 Grubbs GS, Novick SE, Pringle WC, Laane J, Ocola EJ, Cooke SA. Bis-trifluoromethyl effect: doubled transitions in the rotational spectra of hexafluoroisobutene, (CF3)2C═CH2. The Journal of Physical Chemistry. A. 116: 8169-75. PMID 22799501 DOI: 10.1021/Jp305812Z  0.595
2012 Laane J, Ocola EJ. Applications of symmetry and group theory for the investigation of molecular vibrations Acta Applicandae Mathematicae. 118: 3-24. DOI: 10.1007/S10440-012-9675-5  0.598
2011 Ocola EJ, Bauman LE, Laane J. Vibrational spectra and structure of cyclopentane and its isotopomers. The Journal of Physical Chemistry. A. 115: 6531-42. PMID 21598927 DOI: 10.1021/Jp2032934  0.699
2010 Al-Saadi AA, Ocola EJ, Laane J. Intramolecular pi-type hydrogen bonding and conformations of 3-cyclopenten-1-ol. 1. Theoretical calculations. The Journal of Physical Chemistry. A. 114: 7453-6. PMID 20572652 DOI: 10.1021/Jp103404E  0.761
2010 Ocola EJ, Al-Saadi AA, Mlynek C, Hopf H, Laane J. Intramolecular pi-type hydrogen bonding and conformations of 3-cyclopenten-1-ol. 2. Infrared and Raman spectral studies at high temperatures. The Journal of Physical Chemistry. A. 114: 7457-61. PMID 20572651 DOI: 10.1021/Jp103406C  0.751
2010 Ocola EJ, Brito T, McCann K, Laane J. Conformational energetics and low-frequency vibrations of cyclohexene and its oxygen analogs Journal of Molecular Structure. 978: 74-78. DOI: 10.1016/J.Molstruc.2009.11.026  0.75
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