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Applications of Electronic Structure Theory
Journal Publications
29.
D. K. S. Khaidem, S. A. Shimray, A. Ningthoujam, S. Begum, F. A. S. Chipem, G. Krishnamoorthy
Role of explicit hydrogen bonding in solvation calculation on the photophysics of
2-(2'-hydroxyphenyl)oxazolo[4,5-b]pyridine
J. Mol. Liq. 2024, 394, 123765. doi: 10.1016/j.molliq.2023.123765
28.
D. D. Yengkhom, G. S. Ningombam, R. Heisnam, N. Sharma, R. S. Nongmaithem, F. A. S. Chipem
Carboxymethylcellulose modified Fe3O4@SiO2@GdPO4:Tb3+,Ce3+ nanocomposites for combined optical and magnetic fluid hyperthermia in cancer therapy
RSC Appl. Interfaces 2024, 1(2), 313-322. doi: 10.1039/d3lf00217a
27.
S. A. Shimray, A. Ningthoujam, D. K. S. Khaidem, F. A. S. Chipem
Theoretical studies on the photo protective mechanism of curcuminoids
Spectrochim. Acta A 2024, 305, 123449. doi: 10.1016/j.saa.2023.123449
26.
D. D. Yengkhom, G. S. Ningombam, R. Heisnam, N. Sharma, F. A. S. Chipem, N. R. Singh
Folic acid-conjugated magnetic-luminescent nanocomposites from Mn0.8Fe2.2O4 and GdVO4:Dy3+ with efficient heat generation and cytocompatibility in MDA-231 cell lines
Colloid Polym. Sci. 2024, 302(2), 277-288. doi: 10.1007/s00396-023-05197-9
25.
A. Ningthoujam, S. A. Shimray, D. K. S. Khaidem, F. A. S. Chipem
A theoretical exploration of different π-π stacking dimers of coronenes and its substituted analogues
J. Mol. Struct. 2023, 1282, 135198. doi: 10.1016/j.molstruc.2023.135198
24.
D. D. Yengkhom, G. S. Ningombam, T. D. Singh, F. A. S. Chipem, N. R. Singh
Luminescence enhancement and tunable color emission in Eu/Dy/Sm codoped CaW1-xMoxO4 phosphor
Inorg. Chem. Commun. 2022, 141, 109571. doi: 10.1016/j.inoche.2022.109571
23.
M. Das, M. Brahma, S. A. Shimray, F. A. S. Chipem, G. Krishnamoorthy
Nanoparticle and surfactant controlled switching between proton transfer and charge transfer reaction coordinates
Phys. Chem. Chem. Phys. 2022, 24(8), 4944-4956. doi: 10.1039/d1cp02165f
22.
A. Malakar, F. A. S. Chipem, G. Krishnamoorthy
Perturbation of proton transfer of 2-(2′-hydroxyphenyl)benzimidazole and its nitrogenous analogues by nanoparticles
J. Mol. Struct. 2020, 1217, 128352. doi: 10.1016/j.molstruc.2020.128352
21.
D. Ahanthem, D. P. Ojha, F. A. S. Chipem, W. S. Laitonjam
One-pot pseudo-domino three-component Knoevenagel condensation reaction in water enabled by bicellar catalyst: mechanism and reactivity
Lett. Org. Chem. 2020, 17(11), 823-831. doi: 10.2174/1570178616666190701102542
20.
Ph. P. Devi, F. A. S. Chipem, B. S. Chingakham, and R. K. Lonibala
Complexation of 2-amino-3-(4-hydroxyphenyl)-N′-[(2-hydroxyphenyl) methylene]propane hydrazide with Mn(II), Co(II), Ni(II), Cu(II) and Zn(II) Ions: Structural characterization, DFT, DNA binding and antimicrobial studies
J. Mol. Struct. 2019, 1176, 7–18. doi: 10.1016/j.molstruc.2018.08.070
19.
Ila, F. A. S. Chipem, G. Krishnamoorthy
Comment on “Michael addition based chemodosimeter for serum creatinine detection using (E)-3-(pyren-2-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one chalcone”
ACS Sens. 2018, 3(11), 2463–2466. doi: 10.1021/acssensors.8b00434
18.
S. Dana, D. Chowdhury, A. Mandal, F. A. S. Chipem, and M. Baidya
Ruthenium(II) catalysis/noncovalent interaction synergy for cross-dehydrogenative coupling of arene carboxylic acids
ACS Catalysis 2018, 8(11), 10173–10179. doi: 10.1021/acscatal.8b03392
17.
L. Nahakpam, F. A. S. Chipem, B. S. Chingakham, W. S. Laitonjam
Diacetoxyiodobenzene assisted C-O bond formation via sequential acylation and deacylation process: synthesis of benzoxazole amides and its mechanistic study by DFT
Org. Biomol. Chem. 2016, 14(32), 7735–7745. doi: 10.1039/c6ob00968a
16.
L. Nahakpam, F. A. S. Chipem, B. S. Chingakham, and W. S. Laitonjam
Decomposition of benzoylthioureas into benzamides and thiobenzamides under solvent-free condition using iodine-alumina as catalyst and its mechanistic study by density functional theory
New J. Chem. 2015, 39(3), 2240-2247. doi: 10.1039/c4nj02021a
15.
F. A. S. Chipem, A. Malakar, and G. Krishnamoorthy
Intramolecular proton transfer in 2-(2'-hydroxyphenyl)oxazolo[4,5-b]pyridine: evidence for tautomer in the ground state
Photochem. Photobiol. 2015, 91(2), 298–305. doi: 10.1111/php.12411
14.
F. A. S. Chipem, S. K. Behera, and G. Krishnamoorthy
Excited state proton transfer of 2-(2'-hydroxyphenyl)benzimidazole and its nitrogen substituted analogues in bovine serum albumin
Photochem. Photobiol. Sci. 2014, 13(9), 1297–1304. doi: 10.1039/c4pp00099d
13.
F. A. S. Chipem, S. K. Behera, and G. Krishnamoorthy
Ratiometric fluorescence sensing ability of 2-(2'-hydroxyphenyl)benzimidazole and its nitrogen substituted analogues toward metal ions
Sensor Actuat. B-Chem. 2014, 191, 727–733. doi: 10.1016/j.snb.2013.10.043
12.
F. A. S. Chipem, and G. Krishnamoorthy
Temperature effect on dual fluorescence of 2-(2'-hydroxyphenyl)benzimidazole and its nitrogen substituted analogues
J. Phys. Chem. B 2013, 117(45), 14079–14088. doi: 10.1021/jp405804c
11.
F. A. S. Chipem, S. K. Behera, and G. Krishnamoorthy
Enhancing excited state intramolecular proton transfer in
2-(2'-hydroxyphenyl)benzimidazole and its nitrogen substituted analogues by
β-cyclodextrin: the effect of nitrogen substitution
J. Phys. Chem. A 2013, 117(20), 4084–4095. doi: 10.1021/jp311438s
10.
B. Chetia, P. J. Goutam, F. A. S. Chipem, and P. K. Iyer
Thiourea recognition by 2,6-bis(2-benzimidazolyl)pyridine using spectroscopic techniques and DFT
J. Mol. Struct. 2013, 1042, 32–36. doi: 10.1016/j.molstruc.2013.03.035
9.
A. Mishra, A. Thangamani, S. Chatterjee, F. A. S. Chipem, and G. Krishnamoorthy
Photoisomerization of trans-2-[4'-(dimethylamino)styryl]benzothiazole
Photochem. Photobiol. 2013, 89(1), 247–252. doi: 10.1111/j.1751-1097.2012.01227.x
8.
F. A. S. Chipem, A. Mishra, and G. Krishnamoorthy
The role of hydrogen bonding in excited state intramolecular charge transfer
Phys. Chem. Chem. Phys. 2012, 14(25), 8775–8790. doi: 10.1039/c2cp23879a
(Perspective, coverpage article) Top 10 most read PCCP article in June, 2012
7.
A. K. Gupta, F. A. S. Chipem, and R. Boomishankar
A 2-pyridyl (py) attached phosphine imine [P(Npy)(NHpy)3] and an imido phosphinate ion [P(Npy)2(NHpy)2]− in its Ag(I) complex
Dalton Trans. 2012, 41(6), 1848–1853. doi: 10.1039/c1dt12004b
6.
F. A. S. Chipem, N. Dash, and G. Krishnamoorthy
Role of nitrogen substitution in phenyl ring on excited state intramolecular proton transfer and rotamerism of 2-(2'-hydroxyphenyl)benzimidazole: a theoretical study
J. Chem. Phys. 2011, 134(10), 104308 1–9. doi: 10.1063/1.3562124
5.
F. A. S. Chipem, S. Chatterjee, and G. Krishnamoorthy
Theoretical study on photochemical behavior of
trans-2-[4'-(dimethylamino)styryl]benzothiazole
J. Photochem. Photobiol. A: Chem. 2010, 214(2–3), 121–127. doi: 10.1016/j.jphotochem.2010.06.014
4.
L. Jamir, A. R. Ali, H. Ghosh, F. A. S. Chipem, and B. K. Patel
The thiocarbonyl 'S' is softer than thiolate 'S': A catalyst-free one-pot synthesis of isothiocyanates in water
Org. Biomol. Chem. 2010, 8(7), 1674–1678. doi: 10.1039/b923336a
3.
F. A. S. Chipem, and G. Krishnamoorthy
Comparative theoretical study of rotamerism and excited state intramolecular proton transfer of 2-(2'-hydroxyphenyl)benzimidazole, 2-(2'-hydroxyphenyl)imidazo[4,5-b]pyridine, 2-(2'-hydroxyphenyl)imidazo[4,5-c]pyridine and 8-(2'-hydroxyphenyl)purine
J. Phys. Chem. A 2009, 113(44), 12063–12070. doi: 10.1021/jp903535g
2.
N. Dash, F. A. S. Chipem, and G. Krishnamoorthy
Encapsulation of 2-(4'-N,N-dimethylamino)phenylimidazo[4,5-b]pyridine in β-cyclodextrin: effect on H-bond induced intramolecular charge transfer emission
Photochem. Photobiol. Sci. 2009, 8(12), 1708–1715 doi: 10.1039/b9pp00023b
1.
N. Dash, F. A. S. Chipem, R. Swaminathan, and G. Krishnamoorthy
Hydrogen bond induced twisted intramolecular charge transfer in
2-(4'-N,N-dimethylaminophenyl)imidazo[4,5-b]pyridine
Chem. Phys. Lett. 2008, 460(1–3), 119–124. doi: 10.1016/j.cplett.2008.05.092
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