Kunal Kumar Jha

tel: 22 55 266 42
e-mail: kjha/at/chem.uw.edu.pl
address: ul. Żwirki i Wigury 101
room: 3.131
ORCID iD iconorcid.org/0000-0001-9551-8256
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Jha KK, Kleemiss F, Chodkiewicz ML, Dominiak PM
Aspherical Atom Refinements on X-Ray Data of Diverse Structures Including Disordered and Covalent Organic Framework Systems: A Time–Accuracy Trade-Off
J. Appl. Crystallogr., 56 (1), 1–12, Published: 2023
[DOI: 10.1107/S1600576722010883]
Jha KK, Gruza B, Sypko A, Kumar P, Chodkiewicz ML, Dominiak PM
Multipolar Atom Types from Theory and Statistical Clustering (MATTS) Data Bank: Restructurization and Extension of UBDB
J. Chem. Inf. Model., 62 (16), 3752–3765, Published: 2022
[DOI: 10.1021/acs.jcim.2c00144]
Jha KK, Gruza B, Chodkiewicz ML, Jelsch Ch, Dominiak PM
Refinements on electron diffraction data of β-glycine in MoPro: A quest for improved structure model
Journal of Applied Crystallography 54, 1234-1243, Published: 2021
[DOI: 10.1107/S160057672100580X]
Jha KK, Gruza B, Kumar P, Chodkiewicz ML, Dominiak PM
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
Acta Crystallographica Section B B76, 296-306, Published: 2020
[DOI: /10.1107/S2052520620002917]
Iruthayaraja A, Chinnasamy K, Jha KK, Munshi P, Pavan MS, Kumaradhas P
Topology of electron density and electrostatic potential of HIV reverse transcriptase inhibitor zidovudine from high resolution X-ray diffraction and charge density analysis
Journal of Molecular Structure 1180, 683-697, Published: 2019
[DOI: 10.1016/j.molstruc.2018.11.098]
Jha KK, Dutta S, Sar S, Sen S, Munshi P
Harnessing sun for catalyst and sensitizer free regio- and stereo-selective [2+2] cycloaddition
Tetrahedron 74, 51, 7326-7334; Published: 2018
[DOI: 10.1016/j.tet.2018.10.065]
Pratap S, Naaz F, Reddy S, Jha KK, Sharma K, Sahal D, Akhter M, Nayakanti D, Kumar HMS, Kumari V, Pandey K, Shafi S
Anti-proliferative and anti-malarial activities of spiroisoxazoline analogues of artemisinin
Archiv der Pharmazie – Chemistry in Life Sciences, 2018, 1-11, Published: 2018
[DOI: 10.1002/ardp.201800192]
Jayatilaka D, Jha KK, Munshi P
Is it reasonable to obtain information on polarizability and hyperpolarizability only from the electron density?
Australian Journal of Chemistry, 71, 4, 295-306. Published: 2018
[DOI: 10.1071/CH17624]
Jha KK, Dutta S, Munshi P
Concomitance, Reversibility, and Switching Ability of Centrosymmetric and Non-Centrosymmetric Crystal Forms: Polymorphism in an Organic Nonlinear Optical Material
Crystal Growth and Design, 18, 2, 1126-1135. Published: 2017
[DOI: 10.1021/acs.cgd.7b01560]
Karri R, Banerjee M, Chalana A, Jha KK, Roy GP
Activation of Hg-C bonds organomercurials by [S2]-donor Ligands
Inorganic Chemistry, 56, 20, 12102-12115. Published: 2017
[DOI: 10.1021/acs.inorgchem.7b01048]
Rahim A, Saha P, Jha KK, Sukumar N, Sharma BK
Reciprocal carbonyl-carbonyl interactions in small molecules and proteins
Nature Communications, 8, 78. 1-13, Published: 2017
[DOI: 10.1038/s41467-017-00081-x]
Jha KK, Dutta S, Kumar V, Munshi P
Isostructural polymorphs: qualitative insights from energy frameworks
CrystEngComm. 18, 8497-8505, Published: 2016
[DOI: 10.1039/C6CE01501H]
Bathula C, Tripathi S, Srinivasan R, Jha KK, Ganguli A, Chakrabarti G, Singh S, Munshi P, Sen S
Synthesis of novel 5-arylidenethiazolidinones with apoptotic properties via a three component reaction using piperidine as a bifunctional reagent
Organic & Biomolecular Chemistry, 14, 8053-8063, Published: 2016
[DOI: 10.1039/C6OB01257D]
Mamidala R, Majumdar P, Jha KK, Bathula C, Agarwal R, ThirumalaChary M, Mazumdar HK, Munshi P, Sen S
Identification of Leishmania donovani Topoisomerase 1 inhibitors via intuitive scaffold hopping and bioisosteric modification of known Top 1 inhibitors
Nature Scientific Reports, 6, 26603, 1-12, Published: 2016
[DOI: 10.1038/srep26603]
Sangtani E, Sahu SK, Thorat SH, Gawade RL, Jha KK, Munshi P, Gonnade RG
Furosemide Cocrystals with Pyridines: An Interesting Case of Color Cocrystal Polymorphism
Crystal Growth and Design, 15, 12, 5858-5872, Published: 2015
[DOI: 10.1021/acs.cgd.5b01240]
Bathula C, Mamidala R, Thulluri C, Agarwal R, Jha KK, Munshi P, Adepally U, Singh A, ThirumalaChary M, Sen S
Substituted furopyridinediones as novel inhibitors of α-glucosidase
RSC Advances, 5, 90374-90385, Published: 2015
[DOI: 10.1039/C5RA19255B]