Kunal Kumar Jha
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View article: Microcrystal Electron Diffraction-Guided Discovery of Fungal Metabolites
Microcrystal Electron Diffraction-Guided Discovery of Fungal Metabolites Open
Nature remains a vast repository of complex and functional metabolites whose structural characterization continues to drive innovations in pharmaceuticals, agrochemicals, and materials science. The cryogenic electron microscopy (cryoEM) me…
View article: Discovery of an Interlocked and Interwoven Molecular Topology in Nanocarbons via Dynamic C–C Bond Formation
Discovery of an Interlocked and Interwoven Molecular Topology in Nanocarbons via Dynamic C–C Bond Formation Open
Topologically complex carbon nanostructures are an exciting but largely unexplored class of materials due to their challenging synthesis. Previous methods are low yielding because they rely on irreversible Csp2-C…
View article: Spatially-Aware Diffraction Mapping Enables Fully Autonomous MicroED
Spatially-Aware Diffraction Mapping Enables Fully Autonomous MicroED Open
In the hands of experts, microcrystal electron diffraction (microED, a 3D ED method) is a powerful tool for structural chemistry and chemical discovery. To expand the accessibility and utility of microED, we introduce Reciprocal Eyes (REye…
View article: Comparative Study of Solvatomorphs of Stryker's Reagent Using MicroED and Quantum Mechanics
Comparative Study of Solvatomorphs of Stryker's Reagent Using MicroED and Quantum Mechanics Open
The atomic position of hydrogen atoms in metal hydrides has been a long‐standing structural question in inorganic chemistry given that hydride delivery is integral to diverse chemical reactions. Microcrystal electron diffraction (microED),…
View article: Microcrystal electron diffraction-guided discovery of fungal metabolites
Microcrystal electron diffraction-guided discovery of fungal metabolites Open
Nature remains a vast repository of complex and functional metabolites whose structural characterization continues to drive innovations in pharmaceuticals, agrochemicals, and materials science. The cryogenic electron microscopy (cryoEM) me…
View article: Microcrystal electron diffraction-guided discovery of fungal metabolites
Microcrystal electron diffraction-guided discovery of fungal metabolites Open
Nature remains a vast repository of complex and functional metabolites whose structural characterization continues to drive innovations in pharmaceuticals, agrochemicals, and materials science. The cryogenic electron microscopy (cryoEM) me…
View article: Oral health inequalities among geriatric population: A systematic review
Oral health inequalities among geriatric population: A systematic review Open
A BSTRACT As per the World Health Organization, governments should aim to accomplish two significant global milestones by 2030: reducing health disparities and granting universal accessibility to healthcare. The aim of this article was to …
View article: Hirshfeld atom refinement and dynamical refinement of hexagonal ice structure from electron diffraction data
Hirshfeld atom refinement and dynamical refinement of hexagonal ice structure from electron diffraction data Open
Reaching beyond the commonly used spherical atomic electron density model allows one to greatly improve the accuracy of hydrogen atom structural parameters derived from X-ray data. However, the effects of atomic asphericity are less explor…
View article: TAAM refinement on high-resolution experimental and simulated 3D ED/MicroED data for organic molecules
TAAM refinement on high-resolution experimental and simulated 3D ED/MicroED data for organic molecules Open
3D electron diffraction (3D ED), or microcrystal electron diffraction (MicroED), has become an alternative technique for determining the high-resolution crystal structures of compounds from sub-micron-sized crystals. Here, we considered L-…
View article: A New Topological Class of Interlocked and Interwoven Nanocarbons via Dynamic C-C Bond Formation
A New Topological Class of Interlocked and Interwoven Nanocarbons via Dynamic C-C Bond Formation Open
Topologically complex molecules are poised to play a crucial role in the future of materials science, providing control over entanglement at the smallest possible scale. Discovery of new topological constructs and robust strategies for the…
View article: A New Topological Class of Interlocked and Interwoven Nanocarbons via Dynamic C-C Bond Formation
A New Topological Class of Interlocked and Interwoven Nanocarbons via Dynamic C-C Bond Formation Open
Topologically complex molecules are poised to play a crucial role in the future of materials science, providing control over entanglement at the smallest possible scale. Discovery of new topological constructs and robust strategies for the…
View article: CCDC 2236198: Experimental Crystal Structure Determination
CCDC 2236198: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2236208: Experimental Crystal Structure Determination
CCDC 2236208: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2236199: Experimental Crystal Structure Determination
CCDC 2236199: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2236205: Experimental Crystal Structure Determination
CCDC 2236205: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2236206: Experimental Crystal Structure Determination
CCDC 2236206: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2236210: Experimental Crystal Structure Determination
CCDC 2236210: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2236209: Experimental Crystal Structure Determination
CCDC 2236209: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2236204: Experimental Crystal Structure Determination
CCDC 2236204: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2236207: Experimental Crystal Structure Determination
CCDC 2236207: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: Aspherical atom refinements on X-ray data of diverse structures including disordered and covalent organic framework systems: a time–accuracy trade-off
Aspherical atom refinements on X-ray data of diverse structures including disordered and covalent organic framework systems: a time–accuracy trade-off Open
Aspherical atom refinement is the key to achieving accurate structure models, displacement parameters, hydrogen-bond lengths and analysis of weak interactions, amongst other examples. There are various quantum crystallographic methods to p…
View article: CCDC 1962146: Experimental Crystal Structure Determination
CCDC 1962146: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 1962144: Experimental Crystal Structure Determination
CCDC 1962144: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 1962159: Experimental Crystal Structure Determination
CCDC 1962159: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 1962172: Experimental Crystal Structure Determination
CCDC 1962172: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 1962166: Experimental Crystal Structure Determination
CCDC 1962166: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 1962148: Experimental Crystal Structure Determination
CCDC 1962148: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 1962176: Experimental Crystal Structure Determination
CCDC 1962176: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 1962155: Experimental Crystal Structure Determination
CCDC 1962155: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 1962133: Experimental Crystal Structure Determination
CCDC 1962133: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …