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Brijesh Kumar Mishra

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Related publications (4)

Please note that this is not a complete list of this person’s publications. It includes only semantically relevant works. For a full list, please refer to Infoscience.

Computational Chemistry Investigation Of The Bromide-Catalyzed Formation Of Ndma From N,N-Dimethylsulfamide During Ozonation

Jeremy Samuel Arey, Brijesh Kumar Mishra, Urs von Gunten, Michèle Bernadette Heeb, Daniela Trogolo

Royal Soc Chemistry2016

Molecular mechanism of NDMA formation from N,N-dimethylsulfamide during ozonation: Quantum chemical insights into a bromide-catalyzed pathway

Jeremy Samuel Arey, Brijesh Kumar Mishra, Urs von Gunten, Michèle Bernadette Heeb, Daniela Trogolo

During ozonation of drinking water, the fungicide metabolite NN-dimethyIsulfamide (DMS) can be transformed into a highly toxic product, N-nitrosodimethylamine (NDMA). We used quantum chemical computations and stopped-flow experiments to evaluate a chemical ...

Amer Chemical Soc2015

"Gold standard" coupled-cluster study of acetylene pentamers and hexamers via molecular tailoring approach

Brijesh Kumar Mishra

Due to high scaling order of MP2 and CCSD(T) methods, it is either difficult or at times even impossible to treat even moderately sized molecular systems with elaborate basis sets such as aug-cc-pVXZ (X = D, T, Q). In the present work, several structures o ...

2011