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Kunal Kumar Jha
Kunal Kumar Jha
Post Doctoral Fellow @Caltech
在 caltech.edu 的电子邮件经过验证
标题
引用次数
引用次数
年份
Reciprocal carbonyl–carbonyl interactions in small molecules and proteins
A Rahim, P Saha, KK Jha, N Sukumar, BK Sarma
Nature Communications 8 (1), 78, 2017
802017
Furosemide cocrystals with pyridines: an interesting case of color cocrystal polymorphism
E Sangtani, SK Sahu, SH Thorat, RL Gawade, KK Jha, P Munshi, ...
Crystal Growth & Design 15 (12), 5858-5872, 2015
462015
Isostructural polymorphs: qualitative insights from energy frameworks
KK Jha, S Dutta, V Kumar, P Munshi
CrystEngComm 18 (43), 8497-8505, 2016
392016
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
KK Jha, B Gruza, P Kumar, ML Chodkiewicz, PM Dominiak
Acta Crystallographica Section B: Structural Science, Crystal Engineering …, 2020
352020
Identification of Leishmania donovani Topoisomerase 1 inhibitors via intuitive scaffold hopping and bioisosteric modification of known Top 1 inhibitors
R Mamidala, P Majumdar, KK Jha, C Bathula, R Agarwal, MT Chary, ...
Scientific Reports 6 (1), 26603, 2016
292016
Concomitance, reversibility, and switching ability of centrosymmetric and non-centrosymmetric crystal forms: polymorphism in an organic nonlinear optical material
KK Jha, S Dutta, P Munshi
Crystal Growth & Design 18 (2), 1126-1135, 2018
232018
Synthesis of novel 5-arylidenethiazolidinones with apoptotic properties via a three component reaction using piperidine as a bifunctional reagent
C Bathula, S Tripathi, R Srinivasan, KK Jha, A Ganguli, G Chakrabarti, ...
Organic & biomolecular chemistry 14 (34), 8053-8063, 2016
212016
Multipolar Atom Types from Theory and Statistical Clustering (MATTS) Data Bank: Restructurization and Extension of UBDB
KK Jha, B Gruza, A Sypko, P Kumar, ML Chodkiewicz, PM Dominiak
Journal of chemical information and modeling 62 (16), 3752-3765, 2022
202022
Copper-Driven Deselenization: A Strategy for Selective Conversion of Copper Ion to Nanozyme and Its Implication for Copper-Related Disorders
A Chalana, R Karri, R Das, B Kumar, RK Rai, H Saxena, A Gupta, ...
ACS applied materials & interfaces 11 (5), 4766-4776, 2019
202019
Activation of the Hg–C Bond of Methylmercury by [S2]-Donor Ligands
R Karri, M Banerjee, A Chalana, KK Jha, G Roy
Inorganic chemistry 56 (20), 12102-12115, 2017
162017
Substituted furopyridinediones as novel inhibitors of α-glucosidase
C Bathula, R Mamidala, C Thulluri, R Agarwal, KK Jha, P Munshi, ...
RSC Advances 5 (110), 90374-90385, 2015
162015
Interplay of the intermolecular and intramolecular interactions in stabilizing the thione-based copper (I) complexes and their significance in protecting the biomolecules …
A Chalana, RK Rai, R Karri, KK Jha, B Kumar, G Roy
Polyhedron 215, 115647, 2022
122022
Refinements on electron diffraction data of β-glycine in MoPro: a quest for an improved structure model
KK Jha, B Gruza, ML Chodkiewicz, C Jelsch, PM Dominiak
Journal of Applied Crystallography 54 (4), 1234-1243, 2021
122021
Structure–Property Relationship in an Organic Semiconductor: Insights from Energy Frameworks, Charge Density Analysis, and Diode Devices
KK Jha, Y Yadav, SB Srivastava, D Chakraborty, P Johari, SP Singh, ...
Crystal Growth & Design 19 (5), 3019-3029, 2019
92019
Solvatochromism and Reversible Solvent Exchange Phenomena in Solvatomorphic Organic Chromophore Crystals
KK Jha, A Kumar, P Munshi
Crystal Growth & Design 23 (4), 2922-2931, 2023
82023
Aspherical atom refinements on X-ray data of diverse structures including disordered and covalent organic framework systems: a time–accuracy trade-off
KK Jha, F Kleemiss, ML Chodkiewicz, PM Dominiak
Journal of Applied Crystallography 56 (1), 116-127, 2023
82023
Topology of electron density and electrostatic potential of HIV reverse transcriptase inhibitor zidovudine from high resolution X-ray diffraction and charge density analysis
A Iruthayaraj, K Chinnasamy, KK Jha, P Munshi, MS Pavan, ...
Journal of Molecular Structure 1180, 683-697, 2019
82019
Anti‐proliferative and anti‐malarial activities of spiroisoxazoline analogues of artemisinin
S Pratap, F Naaz, S Reddy, KK Jha, K Sharma, D Sahal, M Akhter, ...
Archiv der Pharmazie 352 (1), 1800192, 2019
72019
Harnessing sun for catalyst and sensitizer free regio-and stereo-selective [2+ 2] cycloaddition
KK Jha, S Dutta, S Sar, S Sen, P Munshi
Tetrahedron 74 (51), 7326-7334, 2018
72018
Is it Reasonable to Obtain Information on the Polarizability and Hyperpolarizability Only from the Electron Density?
D Jayatilaka, KK Jha, P Munshi
Australian Journal of Chemistry 71 (4), 295-306, 2018
52018
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