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Sajesh P. Thomas - Publications

Affiliations: 
2020-2021 Aarhus Universitet 
 2021- IIT Delhi 
Area:
Quantum and computational crystallography, crystal engineering
Website:
https://sites.google.com/view/sajeshthomas/home
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24 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2024 Bhale NA, Shah S, Jahnavi AS, Vishwakarma A, Thakur TS, Thomas SP, Srivastava S, Dikundwar AG. Three Strikingly Different Crystal Habits of Tadalafil: Design, Characterization, Pharmaceutical Performance, and Computational Studies. Molecular Pharmaceutics. PMID 39556092 DOI: 10.1021/acs.molpharmaceut.4c00601  0.516
2024 Dar AH, Rahman A, Mondal S, Barman A, Gupta M, Chowdhury PK, Thomas SP. Mechanical Tuning of Fluorescence Lifetime and Bandgap in an Elastically Flexible Molecular Semiconductor Crystal. Small (Weinheim An Der Bergstrasse, Germany). e2406184. PMID 39118551 DOI: 10.1002/smll.202406184  0.366
2024 Rahman A, Mondal S, Modak M, Singh A, Thayat NS, Singh H, Clegg JK, Poswal HK, Haridas V, Thomas SP. Large Local Internal Stress in an Elastically Bent Molecular Crystal Revealed by Raman Shifts. Small (Weinheim An Der Bergstrasse, Germany). e2402120. PMID 39045899 DOI: 10.1002/smll.202402120  0.755
2023 Singh A, Avinash K, Malaspina LA, Banoo M, Alhameedi K, Jayatilaka D, Grabowsky S, Thomas SP. Dynamic Covalent Bonds in the Ebselen Class of Antioxidants Probed by X-ray Quantum Crystallography. Chemistry (Weinheim An Der Bergstrasse, Germany). e202303384. PMID 38126954 DOI: 10.1002/chem.202303384  0.707
2023 Thomas SP, Singh A, Grosjean A, Alhameedi K, Grønbech TBE, Piltz R, Edwards AJ, Iversen BB. The Ambiguous Origin of Thermochromism in Molecular Crystals of Dichalcogenides: Chalcogen Bonds versus Dynamic Se─Se/Te─Te Bonds. Angewandte Chemie (International Ed. in English). e202311044. PMID 37718313 DOI: 10.1002/anie.202311044  0.747
2022 Thomas SP, Dikundwar AG, Sarkar S, Pavan MS, Pal R, Hathwar VR, Row TNG. The Relevance of Experimental Charge Density Analysis in Unraveling Noncovalent Interactions in Molecular Crystals. Molecules (Basel, Switzerland). 27. PMID 35744821 DOI: 10.3390/molecules27123690  0.427
2021 Spackman PR, Grosjean A, Thomas SP, Karothu DP, Naumov P, Spackman MA. Quantifying Mechanical Properties of Molecular Crystals: A Critical Overview of Experimental Elastic Tensors. Angewandte Chemie (International Ed. in English). PMID 34664351 DOI: 10.1002/anie.202110716  0.737
2021 Thomas R, Thomas SP, Lakhotiya H, Mamakhel AH, Bondesgaard M, Birkedal V, Iversen BB. Tuning of bandgaps and emission properties of light-emitting diode materials through homogeneous alloying in molecular crystals. Chemical Science. 12: 12391-12399. PMID 34603669 DOI: 10.1039/d1sc03714e  0.608
2021 Thomas SP, Thomas R, Grønbech TBE, Bondesgaard M, Mamakhel AH, Birkedal V, Iversen BB. Bandgap Tuning in Molecular Alloy Crystals Formed by Weak Chalcogen Interactions. The Journal of Physical Chemistry Letters. 3059-3065. PMID 33740368 DOI: 10.1021/acs.jpclett.1c00614  0.668
2019 Spackman PR, Yu LJ, Morton CJ, Parker MW, Bond CS, Spackman MA, Jayatilaka D, Thomas SP. Bridging crystal engineering and drug discovery by utilizing intermolecular interactions and molecular shapes in crystals. Angewandte Chemie (International Ed. in English). PMID 31385643 DOI: 10.1002/Anie.201906602  0.726
2019 Thomas SP, Grosjean A, Flematti GR, Karton A, Sobolev AN, Edwards AJ, Piltz RO, Iversen BB, Koutsantonis GA, Spackman MA. Investigation of an unusual crystal habit of hydrochlorothiazide reveals large polar enantiopure domains and a possible crystal nucleation mechanism. Angewandte Chemie (International Ed. in English). PMID 31136063 DOI: 10.1002/anie.201905085  0.781
2019 Shi MW, Thomas SP, Hathwar VR, Edwards AJ, Piltz RO, Jayatilaka D, Koutsantonis GA, Overgaard J, Nishibori E, Iversen BB, Spackman MA. Measurement of Electric Fields Experienced by Urea Guest Molecules in the 18-Crown-6:Urea (1:5) Host-Guest Complex: An Experimental Reference Point for Electric-Field-Assisted Catalysis. Journal of the American Chemical Society. PMID 30761898 DOI: 10.1021/jacs.8b12927  0.728
2019 Fugel M, Malaspina LA, Pal R, Thomas SP, Shi MW, Spackman MA, Sugimoto K, Grabowsky S. Revisiting a historic concept using quantum crystallography: Are phosphate, sulfate and perchlorate anions hypervalent? Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 30759315 DOI: 10.1002/chem.201806247  0.681
2018 Thomas SP, Kumar V, Alhameedi K, Guru Row TN. Non-classical synthons: Supramolecular recognition via S...O chalcogen bonding in the molecular complexes of riluzole. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 30576020 DOI: 10.1002/Chem.201805131  0.362
2018 Alhameedi K, Karton A, Jayatilaka D, Thomas SP. Bond orders for intermolecular interactions in crystals: charge transfer, ionicity and the effect on intramolecular bonds. Iucrj. 5: 635-646. PMID 30224966 DOI: 10.1107/S2052252518010758  0.407
2018 Thomas SP, Spackman PR, Jayatilaka D, Spackman MA. Accurate Lattice Energies for Molecular Crystals from Experimental Crystal Structures. Journal of Chemical Theory and Computation. PMID 29406748 DOI: 10.1021/acs.jctc.7b01200  0.752
2017 Thomas SP, Shi MW, Koutsantonis GA, Jayatilaka D, Edwards AJ, Spackman MA. The Elusive Structural Origin of Plastic Bending in Dimethyl Sulfone Crystals with Quasi-isotropic Crystal Packing. Angewandte Chemie (International Ed. in English). PMID 28470995 DOI: 10.1002/anie.201701972  0.77
2017 Munshi AM, Shi M, Thomas SP, Saunders M, Spackman MA, Iyer KS, Smith NM. Magnetically recoverable Fe3O4@Au-coated nanoscale catalysts for the A(3)-coupling reaction. Dalton Transactions (Cambridge, England : 2003). PMID 28350409 DOI: 10.1039/C7Dt00058H  0.585
2016 Dey D, Bhandary S, Thomas SP, Spackman MA, Chopra D. Energy frameworks and a topological analysis of the supramolecular features in in situ cryocrystallized liquids: tuning the weak interaction landscape via fluorination. Physical Chemistry Chemical Physics : Pccp. PMID 27841399 DOI: 10.1039/C6Cp05917A  0.735
2016 Spackman PR, Thomas SP, Jayatilaka D. High Throughput Profiling of Molecular Shapes in Crystals. Scientific Reports. 6: 22204. PMID 26908351 DOI: 10.1038/srep22204  0.421
2015 Dey D, Thomas SP, Spackman MA, Chopra D. 'Quasi-isostructural polymorphism' in molecular crystals: inputs from interaction hierarchy and energy frameworks. Chemical Communications (Cambridge, England). PMID 26693707 DOI: 10.1039/C5Cc09741J  0.75
2015 Thomas SP, Jayatilaka D, Guru Row TN. SO chalcogen bonding in sulfa drugs: insights from multipole charge density and X-ray wavefunction of acetazolamide. Physical Chemistry Chemical Physics : Pccp. 17: 25411-20. PMID 26365207 DOI: 10.1039/C5Cp04412J  0.34
2015 Thomas SP, Satheeshkumar K, Mugesh G, Guru Row TN. Unusually short chalcogen bonds involving organoselenium: insights into the Se-N bond cleavage mechanism of the antioxidant ebselen and analogues. Chemistry (Weinheim An Der Bergstrasse, Germany). 21: 6793-800. PMID 25766307 DOI: 10.1002/Chem.201405998  0.356
2015 Turner MJ, Thomas SP, Shi MW, Jayatilaka D, Spackman MA. Energy frameworks: insights into interaction anisotropy and the mechanical properties of molecular crystals. Chemical Communications (Cambridge, England). 51: 3735-8. PMID 25525647 DOI: 10.1039/c4cc09074h  0.74
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