The Journal of Physical Chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory

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  • 2019 | Journal Article | Research Paper
    ​ ​Unraveling the Thermal Isomerization Mechanisms of Heteroaryl Azoswitches: Phenylazoindoles as Case Study​
    Crespi, S.; Simeth, N. A. ; Bellisario, A.; Fagnoni, M. & König, B.​ (2019) 
    The Journal of Physical Chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory, 123(9) pp. 1814​-1823​.​ DOI: https://doi.org/10.1021/acs.jpca.8b11734 
    ​Details  DOI  PMID  PMC 
  • 2018 | Journal Article | Research Paper
    ​ ​Benchmark-Quality Semiexperimental Structural Parameters of van der Waals Complexes​
    Kraus, P.; Obenchain, D. A.   & Frank, I.​ (2018) 
    The Journal of Physical Chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory, 122(4) pp. 1077​-1087​.​ DOI: https://doi.org/10.1021/acs.jpca.7b10797 
    ​Details  DOI  PMID  PMC 
  • 2016 | Journal Article | Research Paper
    ​ ​A Study of 2-Iodobutane by Rotational Spectroscopy​
    Arsenault, E. A.; Obenchain, D. A. ; Choi, Y. J.; Blake, T. A.; Cooke, S. A. & Novick, S. E.​ (2016) 
    The Journal of Physical Chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory, 120(36) pp. 7145​-7151​.​ DOI: https://doi.org/10.1021/acs.jpca.6b06938 
    ​Details  DOI  PMID  PMC 
  • 2015 | Journal Article | Research Paper
    ​ ​A Study of the Monohydrate and Dihydrate Complexes of Perfluoropropionic Acid Using Chirped-Pulse Fourier Transform Microwave (CP-FTMW) Spectroscopy​
    Grubbs, G. S.; Obenchain, D. A. ; Frank, D. S.; Novick, S. E.; Cooke, S. A.; Serrato, A. & Lin, W.​ (2015) 
    The Journal of Physical Chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory, 119(42) pp. 10475​-10480​.​ DOI: https://doi.org/10.1021/acs.jpca.5b08347 
    ​Details  DOI  PMID  PMC 
  • 2015 | Journal Article | Research Paper
    ​ ​Distributed Atomic Polarizabilities of Amino Acids and their Hydrogen-Bonded Aggregates​
    Dos Santos, L. H. R.; Krawczuk, A.   & Macchi, P.​ (2015) 
    The Journal of Physical Chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory, 119(13) pp. 3285​-3298​.​ DOI: https://doi.org/10.1021/acs.jpca.5b00069 
    ​Details  DOI  PMID  PMC 
  • 2014 | Journal Article | Research Paper
    ​ ​Rotational spectroscopic studies of C-H · · · F interactions in the vinyl fluoride · · · difluoromethane complex​
    Christenholz, C. L.; Obenchain, D. A. ; Peebles, R. A. & Peebles, S. A.​ (2014) 
    The Journal of Physical Chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory, 118(9) pp. 1610​-1616​.​ DOI: https://doi.org/10.1021/jp500312r 
    ​Details  DOI  PMID  PMC 
  • 2012 | Journal Article | Research Paper
    ​ ​Experimental and theoretical charge density study of the chemical bonding in chlorokojic acid crystal structure​
    Krawczuk, A.   & Stadnicka, K.​ (2012) 
    The Journal of Physical Chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory, 116(39) pp. 9759​-9768​.​ DOI: https://doi.org/10.1021/jp3058614 
    ​Details  DOI  PMID  PMC 
  • 2012 | Journal Article | Research Paper
    ​ ​Molecular structure of methyldifluoroisocyanato silane: a combined microwave spectral and theoretical study​
    Guirgis, G. A.; Overby, J. S.; Palmer, M. H.; Peebles, R. A.; Peebles, S. A.; Elmuti, L. F. & Obenchain, D. A.  et al.​ (2012) 
    The Journal of Physical Chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory, 116(30) pp. 7822​-7829​.​ DOI: https://doi.org/10.1021/jp302519h 
    ​Details  DOI  PMID  PMC 
  • 2011 | Journal Article | Research Paper
    ​ ​C-H···π interactions in the CHBrF2···HCCH weakly bound dimer​
    Obenchain, D. A. ; Bills, B. J.; Christenholz, C. L.; Elmuti, L. F.; Peebles, R. A.; Peebles, S. A. & Neill, J. L. et al.​ (2011) 
    The Journal of Physical Chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory, 115(44) pp. 12228​-12234​.​ DOI: https://doi.org/10.1021/jp208603m 
    ​Details  DOI  PMID  PMC 
  • 2009 | Journal Article
    ​ ​Electronic excitation of Cl- in liquid water and at the surface of a cluster: a sequential born - oppenheimer molecular dynamics/quantum mechanics approach​
    Galamba, N.; Mata, R. A.   & Costa Cabral, B. J.​ (2009) 
    The Journal of Physical Chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory, 113(52) pp. 14684​-14690​.​ DOI: https://doi.org/10.1021/jp904687k 
    ​Details  DOI 

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