Noncovalent interactions and their prospects in computational catalyst design

dc.contributor.guide	Goel, Neetu
dc.coverage.spatial	Physical Chemistry
dc.creator.researcher	Khera, Mayank
dc.date.accessioned	2025-06-02T10:09:53Z
dc.date.available	2025-06-02T10:09:53Z
dc.date.awarded	2025
dc.date.completed	2024
dc.date.registered	2019
dc.description.abstract	This thesis is a live document of our efforts to investigate the exciting chemistry of noncovalent interactions and their prospect in computational catalysis using modern density functional theory as an anchor and a guide. The advent of the state-of-the art computing technology and development of highly efficient algorithms has established computational chemistry as a major domain of research in the field of Chemical Sciences. newline
dc.description.note	Bibliography 177-218p. Annexure 219-220p.
dc.format.accompanyingmaterial	CD
dc.format.dimensions	-
dc.format.extent	xxiii, 220p.
dc.identifier.researcherid
dc.identifier.uri	http://hdl.handle.net/10603/643064
dc.language	English
dc.publisher.institution	Department of Chemistry
dc.publisher.place	Chandigarh
dc.publisher.university	Panjab University
dc.relation	-
dc.rights	university
dc.source.university	University
dc.subject.keyword	Asymmetric Catalysis
dc.subject.keyword	Bond Critical Points
dc.subject.keyword	Crystal Structure
dc.subject.keyword	Noncovalent interactions
dc.subject.keyword	Tetrel Bonding
dc.title	Noncovalent interactions and their prospects in computational catalyst design
dc.title.alternative
dc.type.degree	Ph.D.