| # | List of Publication by Prof. Prasanta Kumar Nandi |
|---|---|
| 1 | K. Hatua, H.S. Das, A. Mondal and P.K. Nandi, Electronic second hyperpolarizability of alkaline earth metal chains end capped with –NH2 and –CN, 98, 100234, Journal of the Indian Chemical Society, 2021 |
| 2 | R. Sinha Roy, S. Ghosh, K. Hatua and P.K. Nandi, Superalkali-doped borazine and lithiated borazine complexes: diffuse excess electron and large first-hyperpolarizability, 27, 74, J. Mol. Model, 2021 |
| 3 | H. S. Das, R. Das, P. K. Nandi, S.Biring, S. K. Maity, Infuence of Ga?doped transparent conducting ZnO thin flm for efciency enhancement in organic light?emitting diode applications, 127, 225, DOI: https://doi.org/10.1007/s00339-021-04339-6, Appl. Phys. A, 2021 |
| 4 | A. Mondal, K. Hatua and P.K. Nandi, Second hyperpolarizability of diffuse-electron compounds M-NH3, M-NLi3 and M-NLi3-M of alkaline earth metals: Effect of lithiation, 88, 81-91, J. Mol. Graph. Model, 2019 |
| 5 | A. Mondal, K. Hatua and P.K. Nandi, Why lithiation results large enhancement of second hyperpolarizability of delta shaped complexes M-C2H2 (M = Be, Mg and Ca)?, 720, 36-41, Chem. Phys. Lett., 2019 |
| 6 | H.S. Das, P. K. Nandi, S. Biring and R. Das, Synthesis and characterization of organic-inorganic Perovskite Mmaterial for solar cell application, 96, 343-348, J. Indian Chem. Soc, 2019 |
| 7 | P. Banerjee, K. Hatua, A. Mondal and P.K. Nandi, Substituent effects at nitrogen/phosphorus atoms of dialkaline earth metal complexes: excess electron and large second-hyperpolarizability, 119, 1-15, Int J Quantum Chem, 2019 |
| 8 | P. Banerjee, M.G. Papadopoulos and P.K. Nandi, Static second-hyperpolarizability of diffuse electron cyclic compounds M2A2 (M = Be, Mg, Ca; A= Li, Na, K): Effect of basis set and electron correlation, 729, 92-98, Chem. Phys. Lett, 2019 |
| 9 | S. Ghosh, P. Banerjee and P.K. Nandi, Heterolytic N-H bond activation of ammonia by dinuclear [{M(?-OMe)}2] complexes (M = Sc - V and Mn - Ni) : A theoretical investigation, 1145, 44-53, Comp. and Theo. Chem, 2018 |
| 10 | R. Das, H.S. Das, P. K. Nandi and S. Biring, Comparative studies on the properties of magnetron sputtered transparent conductive oxide thin films for the application in solar cell, 124, 631-638, Appl. Phys. A, 2018 |
| 11 | K. Hatua, A. Mondal, P. Banerjee and P.K. Nandi, Diffuse electrons of alkali metals (Li, Na, K) or diffuse electron pair of alkaline earth metals (Be, Mg, Ca) which predict larger second hyperpolarizability? A comprehensive study of M…NH3 model compounds, 692, 160-165, Chem. Phys. Lett., 2018 |
| 12 | P. Banerjee and P.K. Nandi, Hydrides, alkalides and halides of calcium metal chain: electronic structure and NLO property, 29, 859-870, Struct. Chem, 2018 |
| 13 | K. Hatua, A. Mondal, P. Banerjee and P.K. Nandi, Static second hyperpolarizability of inverse sandwich compounds (M1-C5H5-M2) of alkali (M1=Li, Na, K) and alkaline earth metals (M2= Be, Mg, Ca), 20, 1331-1339, Phys.Chem.Chem.Phys, 2018 |
| 14 | R. Sinha Roy and P.K. Nandi, Electronic structure and large second-order non-linear optical property of COT derivatives - A theoretical exploration, 20, 18744-18755, Phys. Chem. Chem. Phys, 2018 |
| 15 | K. Hatua, A. Mondal, and P.K. Nandi, Static Second Hyperpolarizability of Diffuse Electron Compound M2X (M=Li, Na; X=H, F): Ab-initio Study of Basis Set Effect and Electron Correlation, 686, 1-6, Chem. Phys. Lett, 2017 |
| 16 | S. Ghosh, R. Sinha Roy, P. Banerjee, A. Mondal, K. Hatua and P. K. Nandi, Effect of charge and spin multiplicity on hyperpolarizabilities of donor- acceptor substituted polyenes, 756-766, Indian J. Chem. 56A, 2017 |
| 17 | R. Sinha Roy, A. Mondal and P. K. Nandi, First hyperpolarizability of cyclooctatetraene modulated by alkali and alkaline earth metals, 23, 93, J. Mol. Model, 2017 |
| 18 | A. Mondal, K. Hatua, R. Sinha Roy and P. K. Nandi, Successive lithiation of acetylene, ethylene and benzene: a comprehensive computational study of large static second hyperpolarizability), 19, 4768-4777, Phys. Chem. Chem. Phys, 2017 |
| 19 | A. Mondal, K. Hatua, S. Ghosh, B. Dey and P.K. Nandi, Lithium enhanced second hyperpolarizability of inverse sandwich compounds (M-C4X4-M; X = H, Li) of beryllium, magnesium and calcium, 1112, 46-51, Comp. and Theo. Chem, 2017 |
| 20 | K. Hatua and P.K. Nandi, Effect of alkaline earth metal at the single wall CNT mouth on the electronic structure and second hyperpolarizability, 15, 1650040 (1-14), J. Theor. Comput. Chem, 2016 |
| 21 | P. Banerjee and P.K. Nandi, Electronic structures and second hyperpolarizabilities of alkaline earth metal complexes end-capped with NA2 (A = H, Li, Na), 18, 12505-12520, Phys. Chem. Chem. Phys, 2016 |
| 22 | R. Sinha Roy and P.K. Nandi, Exploring bridging effect on first hyperpolarizability, 5, 103729-103738, RSC Adv., 2015 |
| 23 | A. Mondal, K. Hatua and P.K. Nandi, Static second hyperpolarizability of twisted ethylene: A comprehensive computational study, 14, 1550060 (1-13), J. Theor. Comput. Chem, 2015 |
| 24 | P. Banerjee and P.K. Nandi, Electronic structure and second hyperpolarizability of M(NA2)2 (M=Be,Mg,Ca; A=H,Li,Na) complexes, 637, 164-171, Chem. Phys. Lett, 2015 |
| 25 | P. K. Nandi, K. Hatua, A. K. Bansh, N. Panja and T. K. Ghanty, Structure- Property Correlation Study Through Sum-Over-State Approach, 1642, 526-529, AIP Conf. Proc, 2015 |
| 26 | K. Hatua and P.K. Nandi, Second hyperpolarizability of multimetallocenes [Cp-Mn-Cp] of Be, Mg and Ca, 14, 1550002(1-20), J. Theor. Comput. Chem, 2015 |
| 27 | K. Hatua and P.K. Nandi, Second hyperpolarizability of delta shaped disubstituted acetylene complexes of Beryllium, Magnesium and Calcium, 254, 1 - 9, J. Mol. Model, 2015 |
| 28 | K. Hatua and P.K. Nandi, Diradical character and second hyperpolarizability of multidecker inverse sandwich complexes of Mg and Ca, 628, 1 - 8, Chem. Phys. Lett., 2015 |
| 29 | K. Hatua and P.K. Nandi, Double Coned Inverse Sandwich Complexes [M-(?4-C4H4)-M?] of Gr-IA and Gr-IIA Metals: Theoretical Study of Electronic of Structure and Second Hyperpolarizability, 20, 2440-2449, J. Mol. Model, 2014 |
| 30 | K. Hatua and P.K. Nandi, Static Second Hyperpolarizability of ? Shaped Alkaline Earth Metal Complexes, 13, 1450039(1-12), J. Theor. Comput. Chem, 2014 |
| 31 | S. Goswami, S. Das, K.. Aich, P.K. Nandi, K.Ghoshal, C. K. Quah, M. Bhattacharyya, H.-K. Fun and H.A. Abdel-Aziz, A rhodamine–quinoline based chemodosimeter capable of recognising endogenous OCl - in human blood cells, 4, 24881-24886, RSC Adv., 2014 |
| 32 | S. Goswami, A. Manna, S. Paul, A.K. Das, P.K. Nandi, A.K. Maity and P. Saha, A turn on ESIPT probe for rapid and ratiometric fluorogenic detection of homocysteine and cysteine in water with live cell-imaging, 55, 490-494, Tetrahedron Letters, 2014 |
| 33 | K. Hatua and P.K. Nandi, Beryllium-Cyclobutadiene Multidecker Inverse Sandwiches: Electronic Structure and Second-Hyperpolarizability, 117, 12581 - 12589., J. Phys. Chem. A, 2013 |
| 34 | K. Hatua and P.K. Nandi, Third-order NLO Property of Beryllium-Pyridyne Complexes, 12, 1350075(1-13), J. Theor. Comput. Chem, 2013 |
| 35 | S. Goswami, A. Manna, S.Paul, A. K. Das, K. Aich and P.K. Nandi, Resonance-Assisted hydrogen bonding induced nucleophilic addition to hamper ESIPT: ratiometric detection of cyanide in aqueous media, 49, 2912-2914, Chem. Commun, 2013 |
| 36 | K. Hatua and P.K. Nandi, Interaction of Beryllium with Acceptor Hydrocarbons: Electronic structure and Second Hyperpolarizability, 12, 1350046(1-11), J. Theor. Comput. Chem, 2013 |
| 37 | A. K. Mahapatra, K. Maiti, P. Sahoo and P.K. Nandi, A new colorimetric and fluorescent bis(coumarin) methylene probe for fluoride ion detection based on the proton transfer signaling mode, 143, 349-354, Journal of Luminescence, 2013 |
| 38 | U. Saha, T. K. Si, P.K. Nandi and K. K. Mukherjea, An Amino Acid Coordinated Vanadium (IV) Complex: Synthesis, Structure, DFT Calculations and VHPO Mimicking Catalytic Bromoperoxidation of Organic Substrates, 38, 43-46, Inorganic Chemistry Communications, 2013 |
| 39 | K. Hatua and P.K. Nandi, Relationships between different-order polarizabilities and ground state dipole moment, 12, 1250099(1-25), J. Theor. Comput. Chem, 2013 |
| 40 | K. Hatua and P.K. Nandi, Theoretical study of electronic structure and third-order optical properties of beryllium-hydrocarbon complexes, 996, 82-90, Comp. and Theo. Chem, 2012 |
| 41 | A. K. Mahapatra, R. Maji, P. Sahoo, P.K. Nandi, S.K. Mukhopadhyay and A. Banik, A new colorimetric chemodosimeter for mercury ion via specific thioacetal deprotection in aqueous solution and living cells, 53, 7031-7035, Tetrahedron Letters, 2012 |
| 42 | N. Panja, T. K. Ghanty and P.K. Nandi, A Sum-Over-State Scheme of Hyperpolarizabilities and its application to spiroconjugated molecular system, 126, 323-337, Theor. Chem. Acc., 2010 |
| 43 | P. K. Nandi, N. Panja, T. K. Ghanty and Tapas Kar, Theoretical Study of the Effect of Structural Modifications on the Hyperpolarizabilities of Indigo-Derivatives, 113, 2623-2631, J. Phys. Chem. A, 2009 |
| 44 | J. Ray, N. Panja, P. K. Nandi, J. J. Martin, W. E. Jones Jr., Spectroscopic and ab initio study of an intramolecular charge transfer (ICT) rhodanine derivative, 874, 121-127, J. Mol. Struct., 2008 |
| 45 | P.K. Nandi, N. Panja and T. K. Ghanty, Hetero-cycle based isomeric chromophores with substantially varying NLO properties: A new structure-property correlation study, 112, 4844-4852, J. Phys. Chem, 2008 |
| 46 | P.K. Nandi, N. Panja and T. Kar, Hyperpolarizabilities of hetero-cycle based Chromophores: A semi-quantitative SOS scheme, 444, 366-374, Chem. Phys. Lett, 2007 |
| 47 | P.K. Nandi, K. Mandal and T. Kar, Theoretical study of static second-order nonlinear optical properties of push-pull heteroquinonoid dimmers, 760, 235-244, J. Mol. Struct. (Theochem), 2006 |
| 48 | T. Kar, N. Panja and P.K. Nandi, Electronic structure and spectroscopic properties of the two structural isomers of donor-acceptor substituted Sesquifulvalene in the gas and solution phases – A case study of sudden polarization, 110, 12684-12692, J. Phys. Chem. A, 2006 |
| 49 | P.K. Nandi, K. Mandal and T. Kar, Ab initio SCRF study of solvent effect on the nonlinear polarizabilities of different intramolecular charge-transfer molecules, 114, 200-207, Theor. Chem. Acc, 2005 |
| 50 | K. Mandal, T. Chattopadhyay, P.K. Nandi and S.P. Bhattacharyya, Theoretical study of the variation of first hyperpolarizability in a number of push-pull benzene, thiophene and trans-butadiene molecules”, Indian J. Chem, 42, 449 -459., Indian J. Chem., 2003 |
| 51 | K. Mandal, T. Kar, P.K. Nandi and S. P. Bhattacharyya, Theoretical study of the nonlinear polarizabilities in H2N and NO2 substituted chromophores containing two hetero aromatic rings, 376, 116-124, Chem. Phys. Lett, 2003 |
| 52 | P.K. Nandi, K. Mandal and T. Kar, Effect of structural changes in Sesquifulvalene on the intramolecular charge transfer and nonlinear polarizations – a theoretical study, 381, 230-238, Chem. Phys. Lett., 2003 |
| 53 | P.K. Nandi, T. Chattopadhyay and S.P. Bhattacharyya, Theoretical study of solvent modulation of the first-hyperpolarizability of PNA, DNBT and DCH, 545, 119-129, J. Mol. Struct. (Theochem), 2001 |
| 54 | P.K. Nandi, K.K. Das and S.P. Bhattacharyya, Solvent modulation of ground and excited state properties of 5-dimethyl-amino-5¢-nitro-2,2¢- bithiophene (DNBT): A case study within the framework of a scaled self consistent reaction field method, 466, 155-164, J. Mol. Struct. (Theochem), 1999 |
| 55 | P.K. Nandi, T. Kar and A. B. Sannigrahi, Effect of spin contamination in UHF wave functions on charge density-based local quantities, 362, 69-75, J. Mol. Struct. (Theochem), 1996 |
| 56 | A.B. Sannigrahi, P.K. Nandi and P.v.R. Schleyer, Ab initio study of cation-dipole interactions: proton, lithium and sodium affinities of hydrogen and alkali halides and natural orbital study of bonding, 116, 7225-7232, J. Am. Chem. Soc., 1995 |
| 57 | A.B. Sannigrahi, P.K. Nandi and T. Kar, Natural populations and charge transfer in hydrogen and alkali bihalide ions, 306, 83-85, J. Mol. Struct. (Theochem), 1994 |
| 58 | T. Kar, P.K. Nandi and A. B. Sannigrahi, Bonding in beryllium carbonyls, 220, 133-137, Chem. Phys. Lett., 1994 |
| 59 | A.B. Sannigrahi and P.K. Nandi, Atomic charge and hybridization, 10, 25-29, Chemistry Educn, 1994 |
| 60 | P.K. Nandi and A. B. Sannigrahi, The role of valence interaction in some cation molecule complexes, 307, 99-105, J. Mol. Struct. (Theochem), 1994 |
| 61 | P. K. Nandi, A. Misra and A. B. Sannigrahi, Ab initio SCF study of the nature of bonding in neutral and cationic silicon hydrides and analogous carbon compounds, 106, 315-326, Proc. Indian Acad. Sci. (Chem. Sci.), 1994 |
| 62 | S. Nath, P.K. Nandi, A.B. Sannigrahi and P.K. Chattoraj, Effect of basis sets and population analysis schemes on the calculation of group electronegativity, 279, 207-211, J. Mol. Struct. (Theochem), 1993 |
| 63 | A.B. Sannigrahi, P.K. Nandi and P. v. R. Schleyer, Ab initio theoretical study of the electronic structure, stability and bonding of dialkali halide cations, 204, 73-79, Chem. Phys. Lett., 1993 |
| 64 | A.B. Sannigrahi and P.K. Nandi, Ab initio SCF study of the nature of bonding in Si2H2 and Si2H4”, 188, 575-583, Chem. Phys. Lett, 1992 |
| 65 | A.B. Sannigrahi, P.K. Nandi, L. Behera and T. Kar, Theoretical study of multi-centre bonding using a delocalized MO approach, 276, 259-278, J. Mol. Struct. (Theochem), 1992 |
| 66 | A.B. Sannigrahi, T. Kar and P.K. Nandi, Ab initio theoretical study of the electronic structure, stability and bonding of MXY- ions (M = H, Li, Na; X, Y = F, Cl), 198, 63-73, Chem. Phys. Lett, 1992 |
| 67 | P.K. Chattoraj, P.K. Nandi and A.B. Sannigrahi, Improved hardness parameters for molecules, 103, 583-589, Proc. Indian Acad. Sci. (Chem. Sci.), 1991 |
| 68 | L. Behera, T. Kar, P.K. Nandi and A.B. Sannigrahi, A closer look into the causes of discrepancy between Lowdin and Mulliken atomic charges, 236, 15-21, J. Mol. Struct. (Theochem), 1991 |
Created: 23 November 2019