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  • American Institute of Physics (AIP)  (2)
  • American Geophysical Union  (1)
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  • 1
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The minimum energy potential energy surfaces for combination of NH(3Σ−)+O(3P) to form HNO(1A',3A‘) and N(4S)+OH(2Π) to form NOH(3A‘), and the isomerization of HNO(1A',3A‘) to NOH(1A',3A‘), decomposition of NOH(1A',3A‘) to N(4S)+OH(2Π) as well as to H(2S)+NO(2Π) and HNO(3A‘) to H(2S)+NO(2Π) have been obtained by the ab initio methods with geometry optimization at the 6–311G**/MP2=full level with corrections for electron correlation at the MP4SDTQ=full level. At all stationary points on the potential energy surfaces (PES), correction for the zero point vibrational energies are made. The addition reactions to form energized adducts have then been analyzed using a bimolecular version of the quantum statistical Rice–Ramsperger–Kassel (QRRK) theory at different temperatures and pressures. Our analysis predicts that at all temperatures isomerization of HNO(3A‘) to NOH(3A‘) and its reverse isomerization are important. Formation of NO(2Π) in the interstellar clouds can take place from decomposition of NOH(3A‘) as well as HNO(3A‘).
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 106 (1997), S. 9703-9707 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Portions of the [CH2NO2] potential energy surface related to the OH+HNCO reaction were calculated by means of ab initio molecular orbital theory at the QCISD(T)/6-311++G(d,p) level based on UMP2/6-31G(d,p) optimized geometries. Of all possible three channels considered, the hydrogen abstraction turns out to be the dominant reaction channel. The addition to C atom requires activation energy slightly larger than that of the abstraction but smaller than that of the N addition, in contrast to the H+HNCO reaction. The structural and energetic parameters for the channels thus characterized were further utilized for the calculation of rate constants in the framework of a quantum statistical theory (QRRK). The contributions of the individual reaction channel towards the total rate constant have been examined. Although the OH+HNCO→NH2+CO2 reaction is more exothermic than the hydrogen abstraction OH+HNCO→H2+NCO, it is confirmed that rate constant for CO2 loss is much lower than that of H2O-elimination. The standard heat of formation of the adduct HNC(OH)O is estimated to be ΔHf298=−41.1±3 kcal/mol. © 1997 American Institute of Physics.
    Type of Medium: Electronic Resource
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  • 3
    Publication Date: 2022-05-26
    Description: Author Posting. © American Geophysical Union, 2020. This article is posted here by permission of American Geophysical Union for personal use, not for redistribution. The definitive version was published in Journal of Geophysical Research: Oceans 125(12),(2020): e2020JC016271, https://doi.org/10.1029/2020JC016271.
    Description: Asian summer monsoon has a planetary‐scale, westward propagating “quasi‐biweekly” mode of variability with a 10–25 day period. Six years of moored observations at 18°N, 89.5°E in the north Bay of Bengal (BoB) reveal distinct quasi‐biweekly variability in sea surface salinity (SSS) during summer and autumn, with peak‐to‐peak amplitude of 3–8 psu. This large‐amplitude SSS variability is not due to variations of surface freshwater flux or river runoff. We show from the moored data, satellite SSS, and reanalyses that surface winds associated with the quasi‐biweekly monsoon mode and embedded weather‐scale systems, drive SSS and coastal sea level variability in 2015 summer monsoon. When winds are calm, geostrophic currents associated with mesoscale ocean eddies transport Ganga‐Brahmaputra‐Meghna river water southward to the mooring, salinity falls, and the ocean mixed layer shallows to 1–10 m. During active (cloudy, windy) spells of quasi‐biweekly monsoon mode, directly wind‐forced surface currents carry river water away to the east and north, leading to increased salinity at the moorings, and rise of sea level by 0.1–0.5 m along the eastern and northern boundary of the bay. During July–August 2015, a shallow pool of low‐salinity river water lies in the northeastern bay. The amplitude of a 20‐day oscillation of sea surface temperature (SST) is two times larger within the fresh pool than in the saltier ocean to the west, although surface heat flux is nearly identical in the two regions. This is direct evidence that spatial‐temporal variations of BoB salinity influences sub‐seasonal SST variations, and possibly SST‐mediated monsoon air‐sea interaction.
    Description: The authors thank the Ministry of Earth Sciences (MoES) institutes NIOT and INCOIS, and the Upper Ocean Processes (UOP) group at WHOI for design, integration, and deployment of moorings in the BoB. The WHOI mooring was deployed from the ORV Sagar Nidhi and recovered from the ORV Sagar Kanya—we thank the officers, crew and science teams on the cruises for their support. Sengupta, Ravichandran and Sukhatme acknowledge MoES and the National Monsoon Mission, Indian Institute of Tropical Meteorology (IITM), Pune, for support; Lucas and Farrar acknowledge the US Office of Naval Research for support of ASIRI through grants N00014‐13‐1‐0489, N0001413‐100453, N0001417‐12880. We thank S. Shivaprasad, Dipanjan Chaudhuri and Jared Buckley for discussion on ocean currents and Ekman flow, and Fabien Durand for discussion on sea level. JSL would like to thank the Divecha Center for Climate Change, IISc., for support. DS acknowledges support from the Department of Science and Technology (DST), New Delhi, under the Indo‐Spanish Programme.
    Description: 2021-05-16
    Repository Name: Woods Hole Open Access Server
    Type: Article
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