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Bhasi, Priya, Nhlabatsi, Zanele P., Sitha, Sanyasi (2017) Reactivity of phosphorus mononitride and interstellar formation of molecules containing phospazo linkage: A computational study on the reaction between HSi (X2Π) and PN (X1Σ+). Journal of Theoretical and Computational Chemistry, 16. 1750075pp. doi:10.1142/s0219633617500754

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Reference TypeJournal (article/letter/editorial)
TitleReactivity of phosphorus mononitride and interstellar formation of molecules containing phospazo linkage: A computational study on the reaction between HSi (X2Π) and PN (X1Σ+)
JournalJournal of Theoretical and Computational Chemistry
AuthorsBhasi, PriyaAuthor
Nhlabatsi, Zanele P.Author
Sitha, SanyasiAuthor
Year2017 (December)Volume16
PublisherWorld Scientific Pub Co Pte Lt
DOIdoi:10.1142/s0219633617500754Search in ResearchGate
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Mindat Ref. ID9276099Long-form Identifiermindat:1:5:9276099:8
GUID0
Full ReferenceBhasi, Priya, Nhlabatsi, Zanele P., Sitha, Sanyasi (2017) Reactivity of phosphorus mononitride and interstellar formation of molecules containing phospazo linkage: A computational study on the reaction between HSi (X2Π) and PN (X1Σ+). Journal of Theoretical and Computational Chemistry, 16. 1750075pp. doi:10.1142/s0219633617500754
Plain TextBhasi, Priya, Nhlabatsi, Zanele P., Sitha, Sanyasi (2017) Reactivity of phosphorus mononitride and interstellar formation of molecules containing phospazo linkage: A computational study on the reaction between HSi (X2Π) and PN (X1Σ+). Journal of Theoretical and Computational Chemistry, 16. 1750075pp. doi:10.1142/s0219633617500754
In(n.d.) Journal of Theoretical and Computational Chemistry Vol. 16. World Scientific Pub Co Pte Lt

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Bhasi, Priya, Nhlabatsi, Zanele P., Sitha, Sanyasi (2016) Possible interstellar formation of phosphorus analogue of hydrazoic acid: A computational study on the reaction between HN and PN. Computational and Theoretical Chemistry, 1078. 129-137 doi:10.1016/j.comptc.2015.12.004
Miriyala, Vijay M., Bhasi, Priya, Nhlabatsi, Zanele P., Sitha, Sanyasi (2017) Formation of a pre-reaction hydrogen-bonded complex and its significance in the potential energy surface of the OH + SO2→ HOSO2 reaction: A computational study. Journal of Theoretical and Computational Chemistry, 16. 1750046pp. doi:10.1142/s0219633617500468
Nhlabatsi, Zanele P., Bhasi, Priya, Sitha, Sanyasi (2016) Possible interstellar formation of glycine through a concerted mechanism: a computational study on the reaction of CH2NH, CO2 and H2. Physical Chemistry Chemical Physics, 18 (30). 20109-20117 doi:10.1039/c5cp07124k
Bhasi, Priya, Nhlabatsi, Zanele P., Sitha, Sanyasi (2017) Some possible channels for the N 2 formation and their probable effects on the interstellar elemental nitrogen partitioning: A computational study. Chemical Physics, 493. 20-31 doi:10.1016/j.chemphys.2017.06.001
Bhasi, Priya, Nhlabatsi, Zanele P., Sitha, Sanyasi (2015) Reaction between HN and SN: a possible channel for the interstellar formation of N2 and SH in the cold interstellar clouds. Physical Chemistry Chemical Physics, 17 (48). 32455-32463 doi:10.1039/c5cp05190h
Nhlabatsi, Zanele P., Bhasi, Priya, Sitha, Sanyasi (2016) Possible interstellar formation of glycine from the reaction of CH2NH, CO and H2O: catalysis by extra water molecules through the hydrogen relay transport. Physical Chemistry Chemical Physics, 18 (1). 375-381 doi:10.1039/c5cp04987c
Bhasi, Priya, Nhlabatsi, Zanele P., Sitha, Sanyasi (2016) Expanding the applicability of electrostatic potentials to the realm of transition states. Physical Chemistry Chemical Physics, 18 (18). 13002-13009 doi:10.1039/c6cp01506a
Darla, Nagasuneetha, Sitha, Sanyasi (2019) Reaction between NH3 (X̌1A1) and CO (X1Σ+): A Computational Insight into the Reaction Mechanism of Formamide (H2N–CHO) Formation. The Journal of Physical Chemistry A, 123 (41). 8921-8931 doi:10.1021/acs.jpca.9b07255
Darla, Nagasuneetha, Pant, Divya, Sitha, Sanyasi (2021) A computational study on the formations of formamide analogues: Interesting chemistry by silicon analogues. Computational and Theoretical Chemistry, 1201. 113290pp. doi:10.1016/j.comptc.2021.113290
Pant, Divya, Sitha, Sanyasi (2023) Roles of bridges on Electronic, linear and nonlinear optical Properties: A computational study on zwitterions with N-methyl pyridinium and p-Dicyanomethanide phenylene. Computational and Theoretical Chemistry, 1229. 114308 doi:10.1016/j.comptc.2023.114308
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