Zobrazeno 1 - 10
of 125
pro vyhledávání: '"John W. Bevan"'
Autor:
I.I. Leonov, Sean Springer, Robert R. Lucchese, Luis A. Rivera-Rivera, Laurent H. Coudert, Blake A. McElmurry, John W. Bevan, Kevin W. Scott
Publikováno v:
Chemical Physics. 501:35-45
Rovibrational transitions associated with tunneling states in the ν 5 (water bending) vibration of the OC-H 2 O complex have been recorded using a supersonic jet mode-hop free quantum cascade laser spectrometer at 6.2 μm. Analysis of the resulting
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::20bfa695c449e547668a282aded54f85
https://doi.org/10.1016/j.chemphys.2017.11.003
https://doi.org/10.1016/j.chemphys.2017.11.003
Publikováno v:
The journal of physical chemistry. A, vol 123, iss 2
Walton, JR; Rivera-Rivera, LA; Lucchese, RR; & Bevan, JW. (2019). Canonical Approach to Generate Multidimensional Potential Energy Surfaces. Journal of Physical Chemistry A, 123(2), 537-543. doi: 10.1021/acs.jpca.8b10329. Lawrence Berkeley National Laboratory: Retrieved from: http://www.escholarship.org/uc/item/99c5c3hr
Walton, JR; Rivera-Rivera, LA; Lucchese, RR; & Bevan, JW. (2019). Canonical Approach to Generate Multidimensional Potential Energy Surfaces. Journal of Physical Chemistry A, 123(2), 537-543. doi: 10.1021/acs.jpca.8b10329. Lawrence Berkeley National Laboratory: Retrieved from: http://www.escholarship.org/uc/item/99c5c3hr
© 2019 American Chemical Society. A new force-based canonical approach for the accurate generation of multidimensional potential energy surfaces is demonstrated. Canonical transformations previously developed for diatomic molecules are used to const
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::76706876a02678b2c68a4d42e0e75032
https://pubmed.ncbi.nlm.nih.gov/30607945
https://pubmed.ncbi.nlm.nih.gov/30607945
Autor:
John W. Bevan, M. Eliades, Kenneth N. Marsh, William J. Rogers, James C. Holste, David L. McFarlane
Publikováno v:
Journal of Chemical & Engineering Data. 61:2805-2817
Two experimental methods were developed to determine the solubility of mercury in liquid methane, propane, pentane, octane, and toluene at temperatures from 173 K to 419 K at pressures to 2.1 MPa. For solubility measurements with T > 298 K, a convent
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::34705e5abdf4df020071e7f07efb6659
https://doi.org/10.1021/acs.jced.6b00173
https://doi.org/10.1021/acs.jced.6b00173
Publikováno v:
The journal of physical chemistry. A, vol 120, iss 5
Walton, JR; Rivera-Rivera, LA; Lucchese, RR; & Bevan, JW. (2016). Canonical Approaches to Applications of the Virial Theorem. Journal of Physical Chemistry A, 120(5), 817-823. doi: 10.1021/acs.jpca.5b11526. Lawrence Berkeley National Laboratory: Retrieved from: http://www.escholarship.org/uc/item/19m131kz
Walton, JR; Rivera-Rivera, LA; Lucchese, RR; & Bevan, JW. (2016). Canonical Approaches to Applications of the Virial Theorem. Journal of Physical Chemistry A, 120(5), 817-823. doi: 10.1021/acs.jpca.5b11526. Lawrence Berkeley National Laboratory: Retrieved from: http://www.escholarship.org/uc/item/19m131kz
© 2016 American Chemical Society. Canonical approaches are applied for investigation of the extraordinarily accurate electronic ground state potentials of H2+, H2, HeH+, and LiH using the virial theorem. These approaches will be dependent on previou
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d7050f562a9094a23b449b61e1771568
https://doi.org/10.1021/acs.jpca.5b11526
https://doi.org/10.1021/acs.jpca.5b11526
Autor:
John W. Bevan, Z. Wang, Blake A. McElmurry, Sean Springer, Robert R. Lucchese, Igor I. Leonov, L. H. Coudert
Publikováno v:
Chemical Physics Letters. 633:229-233
Rovibrational transitions associated with tunneling states in the water bending vibration of the atmospherically significant N 2 –H 2 O complex have been recorded using a cw supersonic jet quantum cascade laser spectrometer at 6.2 μm. Analysis of
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::376849757a5f9a32da1cf69af74cc3a8
https://doi.org/10.1016/j.cplett.2015.05.050
https://doi.org/10.1016/j.cplett.2015.05.050
Publikováno v:
Chemical Physics Letters. 619:174-179
The ν 1 spectra of 16 O 12 C-DI and 16 O 12 C-ID, as well as ν 2 of 16 O 12 C-DI, 16 O 12 C-ID have been recorded using a quantum cascade laser pulsed slit supersonic jet spectrometer. Intensity measurements made simultaneously in the same expansio
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4843cc84a18b5805a98c3ba3e47cbc3a
https://doi.org/10.1016/j.cplett.2014.12.003
https://doi.org/10.1016/j.cplett.2014.12.003
Publikováno v:
Physical Chemistry Chemical Physics. 17:14805-14810
A generalized formulation of explicit force-based transformations is introduced to investigate the concept of a canonical potential in both fundamental chemical and intermolecular bonding. Different classes of representative ground electronic state p
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::93c79ac8b8f2ec9e8e066fdc10517ec3
https://doi.org/10.1039/c5cp01543j
https://doi.org/10.1039/c5cp01543j
Publikováno v:
Walton, JR; Rivera-Rivera, LA; Lucchese, RR; & Bevan, JW. (2017). Is there any fundamental difference between ionic, covalent, and others types of bond? A canonical perspective on the question. Physical Chemistry Chemical Physics, 19(24), 15864-15869. doi: 10.1039/c7cp02407j. Lawrence Berkeley National Laboratory: Retrieved from: http://www.escholarship.org/uc/item/34g4h5x3
Physical chemistry chemical physics : PCCP, vol 19, iss 24
Physical chemistry chemical physics : PCCP, vol 19, iss 24
© the Owner Societies 2017. The concept of chemical bonding is normally presented and simplified through two models: the covalent bond and the ionic bond. Expansion of the ideal covalent and ionic models leads chemists to the concepts of electronega
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::623063e9225989919ab2cab696ebadb3
https://pubmed.ncbi.nlm.nih.gov/28589191
https://pubmed.ncbi.nlm.nih.gov/28589191
Publikováno v:
Chemical Physics. 425:162-169
A five-dimensional compound-model morphed (CMM) potential has been generated for the halogen bonded intermolecular interaction 16 O 12 C– 79 Br 35 Cl based on a fit to the currently generated infrared and previously available microwave spectroscopi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::15da57ff1fd837aea0acb4123e06620f
https://doi.org/10.1016/j.chemphys.2013.08.016
https://doi.org/10.1016/j.chemphys.2013.08.016
Publikováno v:
The Journal of Physical Chemistry A. 117:8477-8483
Potential morphing has been applied to the investigation of proper blue frequency shifts, Δν0 in CO, the hydrogen acceptor complexing in the hydrogen bonded series OC-HX (X= F, Cl, Br, I, CN, CCH). Linear correlations of morphed hydrogen bonded gro
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::970e23f08195228cd1c33b812de91b4a
https://doi.org/10.1021/jp4058516
https://doi.org/10.1021/jp4058516