| 1 |
Computational Investigation on Interactions between Some Munition Compounds and Humic Substances
Schutt TC, Shukla MK
Journal of Physical Chemistry A, 124(51), 10799, 2020 |
| 2 |
Computational Investigation on Electronic Structures and Properties of 4,6-Bis(nitroimino)-1,3,5-triazinan-2-one: An Insensitive Munition Compound
Pittman KM, McAlexander HR, Tschumper GS, Shukla MK
Journal of Physical Chemistry A, 123(16), 3504, 2019 |
| 3 |
Predicting the Impact of Aqueous Ions on Fate and Transport of Munition Compounds in the Environment
Schutt TC, Shukla MK
Journal of Physical Chemistry A, 123(23), 4973, 2019 |
| 4 |
Role of Singlet Oxygen in the Degradation of Selected Insensitive Munitions Compounds: A Comprehensive, Quantum Chemical Investigation
Sviatenko LK, Gorb L, Leszczynska D, Okovytyy SI, Shukla MK, Leszczynski J
Journal of Physical Chemistry A, 123(35), 7597, 2019 |
| 5 |
Constructed wetland as an ecotechnological tool for pollution treatment for conservation of Ganga river
Rai UN, Tripathi RD, Singh NK, Upadhyay AK, Dwivedi S, Shukla MK, Mallick S, Singh SN, Nautiyal CS
Bioresource Technology, 148, 535, 2013 |
| 6 |
Synthesis and characterization of agar-based silver nanoparticles and nanocomposite film with antibacterial applications
Shukla MK, Singh RP, Reddy CRK, Jha B
Bioresource Technology, 107, 295, 2012 |
| 7 |
Can an alpha-Anomer of the Trinitro Form of D-Glucopyranose Be More Easily Hydrolyzed in Alkaline Environment than the beta-Anomer? A Detailed Theoretical Analysis
Shukla MK, Hill F
Journal of Physical Chemistry A, 116(20), 4909, 2012 |
| 8 |
Computational Elucidation of Mechanisms of Alkaline Hydrolysis of Nitrocellulose: Dimer and Trimer Models with Comparison to the Corresponding Monomer
Shukla MK, Hill F
Journal of Physical Chemistry A, 116(29), 7746, 2012 |
| 9 |
Interaction of nucleic acid bases and Watson-Crick base pairs with fullerene: Computational study
Shukla MK, Dubey M, Zakar E, Namburu R, Leszczynski J
Chemical Physics Letters, 493(1-3), 130, 2010 |
| 10 |
Density functional theory investigation of interaction of zigzag (7,0) single-walled carbon nanotube with Watson-Crick DNA base pairs
Shukla MK, Dubey M, Zakar E, Namburu R, Leszczynski J
Chemical Physics Letters, 496(1-3), 128, 2010 |
