Expertise
- Physical Chemistry
Publications
Publications
No publication activity to display at the moment.
Scopus
h-index
22
CrossRef
Citations
2531
h-index
24
Google Scholar
Loading Scholar statistics...
Professional Recognition
Fellow
Royal Society of ChemistryCommunity & Membership
UGC CBCS syllabus revision committee
Member (Chemistry)Asian Council of Science Editors
American Chemical Society
Chemical Research Society of India
Royal Society of Chemistry
Bio
Quantum Chemistry, Spectroscopy and Computational Chemistry, Theoretical Chemistry, Computational Drug Discovery and Materials Science
Personal Details
- Female
- 24/1, The Mall Road, Banarsi Das Estate, Timarpur, Delhi, India
Related Profiles
Experts (1215+)
View All
Vice Principal
Research Scholar
Assistant Professor
Assistant Professor
Assistant Professor
Research Fellow
Assistant Professor
Associate Professor
Assistant Professor
Assistant Professor
Organisation (0)
Co-Authors (24)
Kirori Mal College
Manipal University, Jaipur
Babasaheb Bhimrao Ambedkar University
GLA University, Mathura
Institute of nano Science and Technology
Swami Shraddhanand College
Jaypee Institute of Information Technology, Noida
Aligarh Muslim University
Bharathiar University
Vivekanand Institute of Professional Studies Technical Campus
CSIR-National Physical Laboratory
Manipal University, Jaipur
Central University of South Bihar
Cotton University, Guwahati
Birla Institute of Technology and Science
Indian Institute of Technology (BHU), Varanasi
CSIR-National Physical Laboratory
CSIR-National Physical Laboratory
Jawaharlal Nehru Centre for Advanced Scientific Research, Banaglore
N/A
Indian Institute of Technology Delhi
Defence Research & Development Organisation
Indian Institute of Technology Indore
Scholarly Work
Destructive decomposition of chemical warfare agents by nanocrystalline metal oxides: Theoretical and experimental studies
Funding Agency: CSIR
Principal Investigator
1,992,000
2012 - 2015
Computational studies
Funding Agency: University of Delhi
Principal Investigator
3,000,000
2010 - 2017
Assessment of theoretical methods for the study of reactions involving global warming gas species degradation
Funding Agency: IUPAC
co-PI (Member, Task Force)
491,000
2007 - 2009
Computational Studies on Tumor-linked Human Carbonic Anhydrase IX and its Inhibitors
Removal of noxious water pollutants by using first row transition metal oxides as efficient heterogeneous catalysts
DFT investigations of the varied facets of retrochalcones isolated from liquorice root
Adsorption of Halogenated Compounds and Gases on Small Metal Cluster Decorated Graphene Surfaces: DFT-D2 Studies
Synthesis
Investigation of varied facets of MurB enzyme and its inhibitors: An In Silico approach
Achieving selective inhibition of Histone Deacetylase isoforms: An in silico approach
In silico studies of enzymes and their inhibitors
DFT study of catalysis on nanosurfaces
Hierarchically structured magnesium-based oxides: Synthesis and applications in pesticide remediation
DFT Mechanistic studies on some rearrangement reactions
Synthesis
Investigation of varied facets of gallic acid: An in silico approach
Novel pyruvate dehydrogenase kinase (PDHK) inhibitors based on in silico studies
DFT studies of trans-resveratrol as an antioxidant and anti-ageing drug for activating sirtuins
Theoretical studies of bio-conjugated and transition metal doped ZnO quantum dots.
In silico studies of hydroxamic acids and their biological applications
Theoretical studies on some quantum dots
In silico studies of PDF inhibitors
Theoretical studies on DNA minor-groove binding agents
Theoretical studies of interaction of inorganic and organic pollutants with graphene
DFT studies on urease inhibitors
DFT studies on reactions and decomposition of some chemical and biological warfare agents on mixed metal oxide nanostructures
Synthesis
Interaction of kojic acid with quantum dots and DNA bases: A DFT study
Synthesis and characterization of nanostructured semiconducting materials and nanocomposites
Theoretical study of CdSe quantum dots and their interactions
Quantum chemistry in action: Applications and properties of II-VI quantum dots
DFT study of nanocrystalline TiO2: Relationships between size
Structural properties of maleic and fumaric acids and catalytic role of metal oxides in their degradation: A DFT study
The alloxan-dialuric acid system: Insights into the diabetogenic activity of alloxan
Design and biological evaluation of some 2
Functionalization of carbon and boron nitride nanotubes with carbenes- A density functional study
Computer simulations of lectin-carbohydrate interactions
The Curtius and Schmidt reactions: A DFT mechanistic study
In silico studies of protein-ligand interactions of some metabolic enzymes
Conformations and metal complexes of thiohydroxamic acids: A DFT study
A theoretical study of the structure and unimolecular decomposition pathways of pyruvic acid
Conformers and metal complexes of hydroxamic acids: A density functional study
Density Functional study of some carbene rearrangements
Computational studies on the design of radioprotectors based on the Hoechst family
Theoretical Studies on modification of radiation response by DNA ligands
Studies on hydroxamic acids and their thio analogues
Investigations on a multifunctional allergen and antigen of Aspergillus fumigates
Semiempirical SCFMO studies of the protomeric equilibria of alloxan
Theoretical studies on the protomeric equilibria of barbituric acid
Theoretical study of C3H4 and C3H3F isomers and their interconversions
Volume and compressibility studies of some amino carboxylic acids and a peptide in water and aqueous solutions of sodium sulphate at 288.15 K
Volumetric and transport behaviour of some 1:1 electrolytes in ethanolamine and aqueous ethanolamine mixtures at 298.15 K
Theoretical study of some unimolecular rearrangements
No Data Found
There is currently nothing to display here.
