| Year |
Citation |
Score |
| 2025 |
Mondal S, Dutta S, Hazra V, Pati SK, Bhattacharyya S. Decoding the Hume-Rothery Rule in a Bifunctional Tetra-metallic Alloy for Alkaline Water Electrolysis. Nano Letters. 25: 1296-1304. PMID 39818956 DOI: 10.1021/acs.nanolett.4c04412 |
0.468 |
|
| 2024 |
Sahoo L, Dutta S, Devi A, Pati SK, Patra A. The impact of ligand chain length on the HER performance of atomically precise Pt(SR) nanoclusters. Nanoscale. PMID 39625402 DOI: 10.1039/d4nr03316g |
0.504 |
|
| 2024 |
Garg A, Saha A, Dutta S, Pati SK, Eswaramoorthy M, Rao C. High Ammonia Yield Rate from Dilute Nitrate Solutions Using a Cu(100)-Rich Foil: A Step Closer to Large-Scale Production. Acs Applied Materials & Interfaces. PMID 38963227 DOI: 10.1021/acsami.4c05818 |
0.471 |
|
| 2024 |
Sen N, Sarkar P, Meena Y, Tothadi S, Pati SK, Khan S. Synthesis and catalytic application of a donor-free bismuthenium cation. Chemical Communications (Cambridge, England). PMID 38873969 DOI: 10.1039/d4cc01805b |
0.739 |
|
| 2024 |
Maji M, Dutta S, Jena R, Dey A, Maji TK, Pati SK, Bhattacharyya S. Hydrogen Evolution in Neutral Media by Differential Intermediate Binding at Charge-modulated Sites of a Bimetallic Alloy Electrocatalyst. Angewandte Chemie (International Ed. in English). e202403697. PMID 38512122 DOI: 10.1002/anie.202403697 |
0.509 |
|
| 2024 |
Biswas RK, Pati SK. Computational approach to enhance thermoelectric performance of AgSe by S and Te substitutions. Physical Chemistry Chemical Physics : Pccp. 26: 9340-9349. PMID 38444311 DOI: 10.1039/d3cp05833f |
0.486 |
|
| 2024 |
Das A, Saha S, Maji S, Sarkar P, Jose A, Bhatt MM, Bhunia A, Dutta A, Pati SK, Mandal SK. Highly Stable Self-Regenerating Organic Multi-Redox Systems derived from Bicyclic (Alkyl)(amino)carbenes (BICAACs). Chemistry (Weinheim An Der Bergstrasse, Germany). e202303411. PMID 38441342 DOI: 10.1002/chem.202303411 |
0.752 |
|
| 2023 |
Marjit K, Francis AG, Pati SK, Patra A. Impacts of Exciton Binding Energy and Dielectric Confinement of Layered Lead Halide Perovskites on Carrier Relaxation and Exciton Phonon Interactions. The Journal of Physical Chemistry Letters. 10900-10909. PMID 38033173 DOI: 10.1021/acs.jpclett.3c02738 |
0.776 |
|
| 2023 |
Mandal A, Gupta S, Dutta S, Pati SK, Bhattacharyya S. Transition from Dion-Jacobson hybrid layered double perovskites to 1D perovskites for ultraviolet to visible photodetection. Chemical Science. 14: 9770-9779. PMID 37736622 DOI: 10.1039/d3sc01919e |
0.482 |
|
| 2023 |
Jena R, Bhattacharyya S, Bothra N, Kashyap V, Pati SK, Maji TK. NiCo@NiCoO/NCNT as Trifunctional ORR, OER, and HER Electrocatalysts and its Application in a Zn-Air Battery. Acs Applied Materials & Interfaces. 15: 27893-27904. PMID 37265435 DOI: 10.1021/acsami.3c01947 |
0.652 |
|
| 2023 |
Dutta S, Pati SK. Boosting photo-assisted efficient electrochemical CO reduction reaction on transition metal single-atom catalysts supported on the CN nanosheet. Physical Chemistry Chemical Physics : Pccp. 25: 15788-15797. PMID 37254706 DOI: 10.1039/d3cp00933e |
0.51 |
|
| 2023 |
Parvin S, Bothra N, Dutta S, Maji M, Mura M, Kumar A, Chaudhary DK, Rajput P, Kumar M, Pati SK, Bhattacharyya S. Inverse 'intra-lattice' charge transfer in nickel-molybdenum dual electrocatalysts regulated by under-coordinating the molybdenum center. Chemical Science. 14: 3056-3069. PMID 36937581 DOI: 10.1039/d2sc04617b |
0.735 |
|
| 2023 |
Mondal S, Dutta S, Mal S, Pati SK, Bhattacharyya S. Lattice Mismatch Guided Nickel-Indium Heterogeneous Alloy Electrocatalysts for Promoting the Alkaline Hydrogen Evolution. Angewandte Chemie (International Ed. in English). e202301269. PMID 36880387 DOI: 10.1002/anie.202301269 |
0.505 |
|
| 2023 |
Jana S, Elvers BJ, Pätsch S, Sarkar P, Krummenacher I, Nayak MK, Maiti A, Chrysochos N, Pati SK, Schulzke C, Braunschweig H, Yildiz CB, Jana A. Air and Moisture Stable - and -Quinodimethane Derivatives Derived from --Heterocyclic Olefins. Organic Letters. PMID 36662600 DOI: 10.1021/acs.orglett.2c03993 |
0.751 |
|
| 2022 |
Dutta S, Banerjee P, Pati SK. Computational Insight into TM-N Embedded Graphene Bifunctional Electrocatalysts for Oxygen Evolution and Reduction Reactions. Acs Physical Chemistry Au. 2: 305-315. PMID 36855422 DOI: 10.1021/acsphyschemau.2c00003 |
0.531 |
|
| 2022 |
Nayak MK, Sarkar P, Elvers BJ, Mehta S, Zhang F, Chrysochos N, Krummenacher I, Vijayakanth T, Narayanan RS, Dolai R, Roy B, Malik V, Rawat H, Mondal A, Boomishankar R, ... Pati SK, et al. A bis-NHC-CAAC dimer derived dicationic diradical. Chemical Science. 13: 12533-12539. PMID 36382295 DOI: 10.1039/d2sc03937k |
0.748 |
|
| 2022 |
Das A, Sarkar P, Maji S, Pati SK, Mandal SK. Mesoionic N-Heterocyclic Imines as Super Nucleophiles in Catalytic Coupling of Amides by CO2. Angewandte Chemie (International Ed. in English). PMID 36259383 DOI: 10.1002/anie.202213614 |
0.754 |
|
| 2022 |
Dutta S, Pati SK. Urea Production on Metal-Free Dual Silicon Doped C9N4 Nanosheet Under Ambient Conditions by Electrocatalysis: A First Principles Study. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 36094278 DOI: 10.1002/cphc.202200453 |
0.523 |
|
| 2022 |
Maji S, Sarkar P, Das A, Pati SK, Mandal SK. . Inorganic Chemistry. 61: 14282-14287. PMID 36047676 DOI: 10.1021/acs.inorgchem.2c01841 |
0.746 |
|
| 2022 |
Sen N, Gothe P, Sarkar P, Das S, Tothadi S, Pati SK, Khan S. Donor free stibenium cation as an efficient cyanosilylation catalyst. Chemical Communications (Cambridge, England). 58: 10380-10383. PMID 36039684 DOI: 10.1039/d2cc03158b |
0.737 |
|
| 2022 |
P S, Sarkar P, Dutta S, Das A, Pati SK, Mandal SK. Regioselective ring-opening of epoxides towards Markovnikov alcohols: a metal-free catalytic approach using abnormal N-heterocyclic carbene. Chemical Communications (Cambridge, England). PMID 35929415 DOI: 10.1039/d2cc03549a |
0.774 |
|
| 2022 |
Marjit K, Ghosh G, Biswas RK, Ghosh S, Pati SK, Patra A. Modulating the Carrier Relaxation Dynamics in Heterovalently (Bi) Doped CsPbBr Nanocrystals. The Journal of Physical Chemistry Letters. 13: 5431-5440. PMID 35679509 DOI: 10.1021/acs.jpclett.2c01270 |
0.504 |
|
| 2022 |
Garain S, Wagalgave SM, Kongasseri AA, Garain BC, Ansari SN, Sardar G, Kabra D, Pati SK, George SJ. . Journal of the American Chemical Society. 144: 10854-10861. PMID 35679170 DOI: 10.1021/jacs.2c02678 |
0.78 |
|
| 2022 |
Dutta S, Pati SK. Anchoring boron on a covalent organic framework as an efficient single atom metal-free photo-electrocatalyst for nitrogen fixation: a first-principles analysis. Physical Chemistry Chemical Physics : Pccp. PMID 35467673 DOI: 10.1039/d1cp05699a |
0.521 |
|
| 2022 |
Sarkar P, Das S, Pati SK. Recent Advances in Group 14 and 15 Lewis Acids for Frustrated Lewis Pair Chemistry. Chemistry, An Asian Journal. e202200148. PMID 35320614 DOI: 10.1002/asia.202200148 |
0.722 |
|
| 2022 |
Sada K, Gond R, Bothra N, Pati SK, Barpanda P. Potassium Cobalt Pyrophosphate as a Nonprecious Bifunctional Electrocatalyst for Zinc-Air Batteries. Acs Applied Materials & Interfaces. PMID 35133786 DOI: 10.1021/acsami.1c21481 |
0.632 |
|
| 2022 |
Kumar R, Richter S, Maity S, Sarkar P, Chrysochos N, Pati SK, Ghosh P, Schulzke C, Jana A. Activation of O across a C(sp)-C(sp) bond. Chemical Communications (Cambridge, England). PMID 35113113 DOI: 10.1039/d2cc00110a |
0.725 |
|
| 2021 |
Verma P, Singh A, Rahimi FA, Sarkar P, Nath S, Pati SK, Maji TK. Charge-transfer regulated visible light driven photocatalytic H production and CO reduction in tetrathiafulvalene based coordination polymer gel. Nature Communications. 12: 7313. PMID 34916503 DOI: 10.1038/s41467-021-27457-4 |
0.75 |
|
| 2021 |
Bothra N, Das S, Pati SK. Explaining the Advantageous Impact of Tertiary versus Secondary Nitrogen Centre on the Activity of PNP-Pincer Co(I)-Complexes for Catalytic Hydrogenation of CO2. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 34636450 DOI: 10.1002/chem.202102386 |
0.635 |
|
| 2021 |
Sarkar P, Das S, Pati SK. Investigating Tetrel-Based Neutral Frustrated Lewis Pairs for Hydrogen Activation. Inorganic Chemistry. PMID 34590831 DOI: 10.1021/acs.inorgchem.1c01543 |
0.753 |
|
| 2021 |
Garain BC, Das S, Pati SK. Delineating Conformation Control in the Photophysical Behaviour of a Molecular Donor-Acceptor-Donor Triad. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 34412152 DOI: 10.1002/cphc.202100518 |
0.787 |
|
| 2021 |
Garain BC, Samanta PK, Pati SK. Intersystem Crossing in Boron-Based Donor-Spiro-Acceptor Organic Chromophore: A Detailed Theoretical Study. The Journal of Physical Chemistry. A. PMID 34343011 DOI: 10.1021/acs.jpca.1c03729 |
0.783 |
|
| 2021 |
Garain S, Garain BC, Eswaramoorthy M, Pati SK, George SJ. Light-Harvesting Supramolecular Phosphors: Highly Efficient Room Temperature Phosphorescence in Solution and Hydrogels. Angewandte Chemie (International Ed. in English). PMID 34189815 DOI: 10.1002/anie.202107295 |
0.775 |
|
| 2021 |
Rajendran NM, Gautam N, Sarkar P, Ahmed J, Das A, Das S, Pati SK, Mandal SK. Bicyclic (alkyl)(amino)carbene stabilized zinc(0) complex with singlet biradicaloid ground state. Chemical Communications (Cambridge, England). PMID 33942839 DOI: 10.1039/d1cc01298c |
0.747 |
|
| 2021 |
Kuila S, Garain S, Banappanavar G, Garain BC, Kabra D, Pati SK, George SJ. Ambient Room Temperature Phosphorescence and Thermally Activated Delayed Fluorescence from a Core-Substituted Pyromellitic Diimide Derivative. The Journal of Physical Chemistry. B. PMID 33887140 DOI: 10.1021/acs.jpcb.1c02253 |
0.783 |
|
| 2021 |
Parvin S, Hazra V, Francis AG, Pati SK, Bhattacharyya S. In Situ Cation Intercalation in the Interlayer of Tungsten Sulfide with Overlaying Layered Double Hydroxide in a 2D Heterostructure for Facile Electrochemical Redox Activity. Inorganic Chemistry. PMID 33667066 DOI: 10.1021/acs.inorgchem.1c00011 |
0.792 |
|
| 2021 |
Garain S, Kuila S, Garain BC, Kataria M, Borah A, Pati SK, George SJ. Arylene Diimide Phosphors: Aggregation Modulated Twin Room Temperature Phosphorescence from Pyromellitic Diimides. Angewandte Chemie (International Ed. in English). PMID 33660368 DOI: 10.1002/anie.202101538 |
0.776 |
|
| 2020 |
Shanbhag PN, Biswas RK, Pati SK, Sundaresan A, Rao CNR. Elusive CoO: A Combined Experimental and Theoretical Study. Acs Omega. 5: 29009-29016. PMID 33225132 DOI: 10.1021/acsomega.0c03397 |
0.534 |
|
| 2020 |
Sharma D, Banerjee S, Pati SK, Jaggi N. Effect of conjugation on the vibrational modes of a carbon nanotube dimer. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 246: 118985. PMID 33035888 DOI: 10.1016/j.saa.2020.118985 |
0.732 |
|
| 2020 |
Mandal D, Stein F, Chandra S, Neuman NI, Sarkar P, Das S, Kundu A, Sarkar A, Rawat H, Pati SK, Chandrasekhar V, Sarkar B, Jana A. Trisubstituted geminal diazaalkene derived transient 1,2-carbodications. Chemical Communications (Cambridge, England). PMID 32558832 DOI: 10.1039/D0Cc02807J |
0.76 |
|
| 2020 |
Singh T, Das C, Bothra N, Sikdar N, Das S, Pati SK, Maji TK. MOF Derived CoO@Co/NCNT Nanocomposite for Electrochemical Hydrogen Evolution, Flexible Zinc-Air Batteries, and Overall Water Splitting. Inorganic Chemistry. PMID 32052963 DOI: 10.1021/Acs.Inorgchem.9B03516 |
0.681 |
|
| 2020 |
Dhara D, Das S, Kalita P, Maiti A, Pati SK, Scheschkewitz D, Chandrasekhar V, Jana A. Influence of N-heterocyclic carbenes (NHCs) on the hydrolysis of a diphosphene. Dalton Transactions (Cambridge, England : 2003). PMID 31913377 DOI: 10.1039/C9Dt04690A |
0.305 |
|
| 2020 |
Sharma L, Bothra N, Rai RK, Pati S, Barpanda P. Metal fluorophosphate polyanionic insertion hosts as efficient bifunctional electrocatalysts for oxygen evolution and reduction reactions Journal of Materials Chemistry. DOI: 10.1039/D0Ta05880G |
0.315 |
|
| 2019 |
Navamani K, Pati SK, Senthilkumar K. Effect of site energy fluctuation on charge transport in disordered organic molecules. The Journal of Chemical Physics. 151: 224301. PMID 31837669 DOI: 10.1063/1.5122695 |
0.333 |
|
| 2019 |
Samanta PK, Alam MM, Misra R, Pati SK. Tuning of hyperpolarizability, and one- and two-photon absorption of donor-acceptor and donor-acceptor-acceptor-type intramolecular charge transfer-based sensors. Physical Chemistry Chemical Physics : Pccp. PMID 31355378 DOI: 10.1039/C9Cp03772A |
0.358 |
|
| 2019 |
Mani P, Bandyopadhyay A, Mukharjee PK, Nath RC, Pati SK, Mandal S. Long-range ferromagnetism in nickel-based hybrid structure with semiconductor behavior. Chemical Communications (Cambridge, England). PMID 30931446 DOI: 10.1039/C8Cc09840A |
0.329 |
|
| 2019 |
Acharyya P, Pal P, Samanta PK, Sarkar A, Pati SK, Biswas K. Single pot synthesis of indirect band gap 2D CsPbBr nanosheets from direct band gap 3D CsPbBr nanocrystals and the origin of their luminescence properties. Nanoscale. PMID 30768107 DOI: 10.1039/C8Nr09349K |
0.301 |
|
| 2018 |
Kumar P, Liu J, Motlag M, Tong L, Hu Y, Huang X, Bandopadhyay A, Pati SK, Irudayaraj J, Ye L, Cheng GJ. Laser shocking tuning dynamic interlayer coupling in graphene-boron nitride moiré superlattices. Nano Letters. PMID 30525695 DOI: 10.1021/Acs.Nanolett.8B03895 |
0.351 |
|
| 2018 |
Samanta PK, Pati SK. Theoretical insights into the excited-state properties of room-temperature phosphorescence-emitting N-substituted naphthalimides. Journal of Molecular Modeling. 24: 246. PMID 30128608 DOI: 10.1007/S00894-018-3779-4 |
0.347 |
|
| 2018 |
Bandyopadhyay A, Ghosh D, Pati SK. Shining Light on New Generation Two Dimensional Materials in Computational Viewpoint. The Journal of Physical Chemistry Letters. PMID 29521508 DOI: 10.1021/Acs.Jpclett.8B00044 |
0.679 |
|
| 2018 |
Kumar P, Liu J, Ranjan P, Hu Y, Yamijala SS, Pati SK, Irudayaraj J, Cheng GJ. Alpha Lead Oxide (α-PbO): A New 2D Material with Visible Light Sensitivity. Small (Weinheim An Der Bergstrasse, Germany). PMID 29430851 DOI: 10.1002/Smll.201703346 |
0.785 |
|
| 2018 |
Bandyopadhyay A, Ghosh D, Pati SK. Effects of point defects on the magnetoelectronic structures of MXenes from first principles. Physical Chemistry Chemical Physics : Pccp. PMID 29350724 DOI: 10.1039/C7Cp07165E |
0.713 |
|
| 2017 |
Pati SK, Das S, Mondal S. Mechanistic Insights into Hydrogen Activation by Frustrated N/Sn Lewis Pairs. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 29276811 DOI: 10.1002/Chem.201705861 |
0.327 |
|
| 2017 |
Sanyal S, Sissa C, Terenziani F, Pati SK, Painelli A. Superlinear amplification of the first hyperpolarizability of linear aggregates of DANS molecules. Physical Chemistry Chemical Physics : Pccp. PMID 28875199 DOI: 10.1039/C7Cp04732K |
0.737 |
|
| 2017 |
Vishnoi P, Rajesh S, Manjunatha S, Bandyopadhyay A, Barua M, Pati SK, Rao CNR. Doping phosphorene by holes and electrons through molecular charge transfer. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 28836713 DOI: 10.1002/Cphc.201700789 |
0.477 |
|
| 2017 |
Bandyopadhyay A, Ghosh D, Pati SK. Trapping and sensing of hazardous insecticides by chemically modified single walled carbon nanotubes. Physical Chemistry Chemical Physics : Pccp. PMID 28835960 DOI: 10.1039/C7Cp04980C |
0.7 |
|
| 2017 |
Banerjee S, Park J, Hwang CS, Choi JH, Lee SC, Pati SK. Regulation of transport properties by polytypism: a computational study on bilayer MoS2. Physical Chemistry Chemical Physics : Pccp. PMID 28776619 DOI: 10.1039/C7Cp02973J |
0.77 |
|
| 2017 |
Pramoda K, Gupta U, Chhetri M, Bandyopadhyay A, Pati SK, Rao CN. Nanocomposites of C3N4 with Layers of MoS2 and Nitrogenated RGO, Obtained by Covalent Cross-linking: Synthesis, Characterization and HER Activity. Acs Applied Materials & Interfaces. PMID 28267317 DOI: 10.1021/Acsami.7B00085 |
0.433 |
|
| 2017 |
Bandyopadhyay A, Ghosh D, Kaley NM, Pati SK. Photocatalytic Activity of g-C3N4 Quantum Dots in Visible Light: Effect of Physicochemical Modifications The Journal of Physical Chemistry C. 121: 1982-1989. DOI: 10.1021/Acs.Jpcc.6B11520 |
0.309 |
|
| 2016 |
Ghosh D, Pati SK. Trapping of gaseous pollutants on defective N-doped graphene. Physical Chemistry Chemical Physics : Pccp. PMID 27918014 DOI: 10.1039/C6Cp06247D |
0.705 |
|
| 2016 |
Pati SK, Das S. On the Mechanism of Frustrated Lewis Pair Catalysed Hydrogenation of Carbonyl Compounds. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 27797120 DOI: 10.1002/Chem.201602774 |
0.31 |
|
| 2016 |
Sanyal S, Painelli A, Pati SK, Terenziani F, Sissa C. Aggregates of quadrupolar dyes for two-photon absorption: the role of intermolecular interactions. Physical Chemistry Chemical Physics : Pccp. 18: 28198-28208. PMID 27722590 DOI: 10.1039/C6Cp05153G |
0.373 |
|
| 2016 |
Bandyopadhyay A, Pati SK. Role of donor-acceptor macrocycles in sequence specific peptide recognition and their optoelectronic properties: a detailed computational insight. Physical Chemistry Chemical Physics : Pccp. PMID 27412849 DOI: 10.1039/C6Cp03181A |
0.313 |
|
| 2016 |
Banerjee S, Pati SK. Anodic performance of black phosphorus in magnesium-ion batteries: the significance of Mg-P bond-synergy. Chemical Communications (Cambridge, England). PMID 27297872 DOI: 10.1039/C6Cc04236H |
0.731 |
|
| 2016 |
Guin SN, Banerjee S, Sanyal D, Pati SK, Biswas K. Origin of the Order-Disorder Transition and the Associated Anomalous Change of Thermopower in AgBiS2 Nanocrystals: A Combined Experimental and Theoretical Study. Inorganic Chemistry. PMID 27276279 DOI: 10.1021/Acs.Inorgchem.6B00997 |
0.744 |
|
| 2016 |
Banerjee S, Pati SK. Charge-transport anisotropy in black phosphorus: critical dependence on the number of layers. Physical Chemistry Chemical Physics : Pccp. PMID 27257640 DOI: 10.1039/C6Cp02129H |
0.762 |
|
| 2016 |
Pandey B, Dutta S, Pati SK. Breakdown of electron-pairs in the presence of an electric field of a superconducting ring. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 28: 195601. PMID 27089910 DOI: 10.1088/0953-8984/28/19/195601 |
0.728 |
|
| 2016 |
Mukhopadhyay M, Pandey B, Pati SK. Tuning the Optically Bright and Dark States of Doped Graphene Quantum Dots Physical Review Applied. 6. DOI: 10.1103/Physrevapplied.6.044014 |
0.313 |
|
| 2016 |
Bothra P, Pandey M, Pati SK. Size-selective electrocatalytic activity of (Pt): N/MoS2 for oxygen reduction reaction Catalysis Science and Technology. 6: 6389-6395. DOI: 10.1039/C6Cy01050D |
0.301 |
|
| 2016 |
Ghosh D, Parida P, Pati SK. Spin-State Switching of Manganese Porphyrin by Conformational Modification Journal of Physical Chemistry C. 120: 3625-3634. DOI: 10.1021/Acs.Jpcc.5B11227 |
0.323 |
|
| 2016 |
Adalikwu SA, Chakraborty A, Hazra A, Ghosh D, Pati SK, Maji TK. 2D coordination polymer composed of 1D {NiII(μ-O)(μ-H2O)NiII}n ferromagnetic chains: Modulation of magnetic properties based on dehydration and rehydration Polyhedron. 115: 276-281. DOI: 10.1016/J.Poly.2016.05.011 |
0.316 |
|
| 2015 |
Sarkar S, Banerjee S, Jana R, Siva R, Pati SK, Balasubramanian M, Peter SC. Eu3Ir2In15: A Mixed-Valent and Vacancy-Filled Variant of the Sc5Co4Si10 Structure Type with Anomalous Magnetic Properties. Inorganic Chemistry. PMID 26505762 DOI: 10.1021/Acs.Inorgchem.5B01926 |
0.748 |
|
| 2015 |
Banerjee S, Pati SK. Surface-Mediated Extraction and Photoresponse Modulation of Bisphenol A Derivatives: A Computational Study. Acs Applied Materials & Interfaces. 7: 23893-901. PMID 26462594 DOI: 10.1021/Acsami.5B07949 |
0.749 |
|
| 2015 |
Vasu K, Yamijala SS, Zak A, Gopalakrishnan K, Pati SK, Rao CN. Clean WS2 and MoS2 Nanoribbons Generated by Laser-Induced Unzipping of the Nanotubes. Small (Weinheim An Der Bergstrasse, Germany). PMID 25996308 DOI: 10.1002/Smll.201500350 |
0.76 |
|
| 2015 |
Samanta PK, Pati SK. Theoretical understanding of two-photon-induced fluorescence of isomorphic nucleoside analogs. Physical Chemistry Chemical Physics : Pccp. 17: 10053-8. PMID 25785569 DOI: 10.1039/C5Cp00134J |
0.329 |
|
| 2015 |
Das S, Samanta PK, Pati SK. Watson-Crick base pairing, electronic and photophysical properties of triazole modified adenine analogues: a computational study New Journal of Chemistry. 39: 9249-9256. DOI: 10.1039/C5Nj01566A |
0.37 |
|
| 2015 |
Bandyopadhyay A, Pati SK. Photophysical properties of charge transfer pairs encapsulated inside macrocycle cage: A density functional theory study Chemical Physics Letters. 624: 64-68. DOI: 10.1016/J.Cplett.2015.02.012 |
0.37 |
|
| 2014 |
Banerjee S, Pati SK. Criticality of surface topology for charge-carrier transport characteristics in two-dimensional borocarbonitrides: design principles for an efficient electronic material. Nanoscale. 6: 13430-4. PMID 25283315 DOI: 10.1039/C4Nr04198D |
0.758 |
|
| 2014 |
Banerjee S, Periyasamy G, Pati SK. Formation mechanism and possible stereocontrol of bisphenol a derivatives: a computational study. The Journal of Physical Chemistry. B. 118: 9258-62. PMID 25017955 DOI: 10.1021/Jp506822W |
0.733 |
|
| 2014 |
Sanyal S, Manna AK, Pati SK. Functional corannulene: diverse structures, enhanced charge transport, and tunable optoelectronic properties. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 15: 885-93. PMID 24590669 DOI: 10.1002/Cphc.201301050 |
0.751 |
|
| 2014 |
Samanta PK, Pati SK. Structural and magnetic properties of a variety of transition metal incorporated DNA double helices Chemistry - a European Journal. 20: 1760-1764. PMID 24382746 DOI: 10.1002/Chem.201302628 |
0.322 |
|
| 2014 |
Sanyal S, Manna AK, Pati SK. BN-decorated graphene nanoflakes with tunable opto-electronic and charge transport properties Journal of Materials Chemistry C. 2: 2918-2928. DOI: 10.1039/C3Tc32486A |
0.687 |
|
| 2014 |
Ghosh D, Parida P, Pati SK. Line defects at the heterojunction of hybrid boron nitride–graphene nanoribbons J. Mater. Chem. C. 2: 392-398. DOI: 10.1039/C3Tc31784F |
0.319 |
|
| 2014 |
Banerjee S, Periyasamy G, Pati SK. Possible application of 2D-boron sheets as anode material in lithium ion battery: A DFT and AIMD study Journal of Materials Chemistry A. 2: 3856-3864. DOI: 10.1039/C3Ta14041E |
0.311 |
|
| 2014 |
Yamijala SS, Bandyopadhyay A, Pati SK. Nitrogen-doped graphene quantum dots as possible substrates to stabilize planar conformer of Au20 over its tetrahedral conformer: A systematic DFT study Journal of Physical Chemistry C. 118: 17890-17894. DOI: 10.1021/Jp506623B |
0.333 |
|
| 2014 |
Ghosh D, Periyasamy G, Pati SK. Transition metal embedded two-dimensional C3N 4-graphene nanocomposite: A multifunctional material Journal of Physical Chemistry C. 118: 15487-15494. DOI: 10.1021/Jp503367V |
0.357 |
|
| 2013 |
Manna AK, Pati SK. Theoretical understanding of single-stranded DNA assisted dispersion of graphene. Journal of Materials Chemistry. B. 1: 91-100. PMID 32260616 DOI: 10.1039/C2Tb00184E |
0.654 |
|
| 2013 |
Bandyopadhyay A, Yamijala SS, Pati SK. Tuning the electronic and optical properties of graphene and boron-nitride quantum dots by molecular charge-transfer interactions: a theoretical study. Physical Chemistry Chemical Physics : Pccp. 15: 13881-7. PMID 23842737 DOI: 10.1039/C3Cp51510A |
0.794 |
|
| 2013 |
Manna AK, Pati SK. Computational studies on non-covalent interactions of carbon and boron fullerenes with graphene. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 14: 1844-52. PMID 23616400 DOI: 10.1002/Cphc.201300155 |
0.663 |
|
| 2013 |
Banerjee S, Periyasamy G, Pati SK. Density functional theoretical investigation on structure, optical response and hydrogen adsorption properties of B9/metal-B9 clusters. Physical Chemistry Chemical Physics : Pccp. 15: 8303-10. PMID 23615876 DOI: 10.1039/C3Cp50881A |
0.755 |
|
| 2013 |
Chakraborty A, Srinivasa Rao L, Manna AK, Pati SK, Ribas J, Maji TK. Discrete dinuclear complex to extended 2D compound in a Cu-azido system by controlling coligand stoichiometry: synthesis and magneto-structural correlations. Dalton Transactions (Cambridge, England : 2003). 42: 10707-14. PMID 23503610 DOI: 10.1039/C3Dt32526A |
0.637 |
|
| 2013 |
Manna AK, Pati SK. Effect of edge states on the electronic, magnetic and transport properties of BN-fused polyacene zigzag nanoribbons Journal of Materials Chemistry C. 1: 3439-3447. DOI: 10.1039/C3Tc30219A |
0.694 |
|
| 2013 |
Samanta PK, Pati SK. Structural, electronic and photophysical properties of analogous RNA nucleosides: A theoretical study New Journal of Chemistry. 37: 3640-3646. DOI: 10.1039/C3Nj00633F |
0.364 |
|
| 2013 |
Manna AK, Pati SK. Theoretical understanding of single-stranded DNA assisted dispersion of graphene Journal of Materials Chemistry B. 1: 91-100. DOI: 10.1039/c2tb00184e |
0.623 |
|
| 2013 |
Ghosh D, Periyasamy G, Pati SK. Adsorption of HF Pollutant on Single Vacant 2D Nanosheets: Ab Initio Molecular Dynamics Study The Journal of Physical Chemistry C. 117: 21700-21705. DOI: 10.1021/Jp407851Z |
0.325 |
|
| 2013 |
Yamijala SS, Bandyopadhyay A, Pati SK. Structural Stability, Electronic, Magnetic, and Optical Properties of Rectangular Graphene and Boron Nitride Quantum Dots: Effects of Size, Substitution, and Electric Field The Journal of Physical Chemistry C. 117: 23295-23304. DOI: 10.1021/Jp406344Z |
0.36 |
|
| 2013 |
Sanyal S, Manna AK, Pati SK. Effect of Imide Functionalization on the Electronic, Optical, and Charge Transport Properties of Coronene: A Theoretical Study The Journal of Physical Chemistry C. 117: 825-836. DOI: 10.1021/Jp310362C |
0.68 |
|
| 2013 |
Manna AK, Pati SK. Stability and electronic structure of carbon capsules with superior gas storage properties: A theoretical study Chemical Physics. 426: 23-30. DOI: 10.1016/J.Chemphys.2013.09.004 |
0.661 |
|
| 2013 |
Manna AK, Pati SK. Corrigendum: Computational Studies on Non-Covalent Interactions of Carbon and Boron Fullerenes with Graphene Chemphyschem. 14: 2881-2881. DOI: 10.1002/Cphc.201300729 |
0.632 |
|
| 2013 |
Manna AK, Pati SK. Computational studies on non-covalent interactions of carbon and boron fullerenes with graphene Chemphyschem. 14: 1844-1852. DOI: 10.1002/cphc.201300155 |
0.64 |
|
| 2012 |
Neihsial S, Periyasamy G, Samanta PK, Pati SK. Understanding the binding mechanism of various chiral SWCNTs and ssDNA: a computational study. The Journal of Physical Chemistry. B. 116: 14754-9. PMID 23199121 DOI: 10.1021/Jp305894C |
0.317 |
|
| 2012 |
Samanta PK, Manna AK, Pati SK. Structural, electronic, and optical properties of metallo base pairs in duplex DNA: a theoretical insight. Chemistry, An Asian Journal. 7: 2718-28. PMID 22962000 DOI: 10.1002/Asia.201200630 |
0.665 |
|
| 2012 |
Samanta PK, Manna AK, Pati SK. Thieno analogues of RNA nucleosides: a detailed theoretical study. The Journal of Physical Chemistry. B. 116: 7618-26. PMID 22671305 DOI: 10.1021/Jp301752K |
0.68 |
|
| 2012 |
Chakraborty A, Gurunatha KL, Muthulakshmi A, Dutta S, Pati SK, Maji TK. Assembly of trinuclear and tetranuclear building units of Cu2+ towards two 1D magnetic systems: synthesis and magneto-structural correlations. Dalton Transactions (Cambridge, England : 2003). 41: 5879-88. PMID 22531874 DOI: 10.1039/C2Dt12511K |
0.725 |
|
| 2012 |
Manna AK, Pati SK. Designing tunable electronic and magnetic properties of graphene: A theoretical perspective International Journal of Modern Physics B. 26. DOI: 10.1142/S0217979212420039 |
0.668 |
|
| 2012 |
Parida P, Basheer EA, Pati SK. Cyclopentadienyl–benzene based sandwich molecular wires showing efficient spin filtering, negative differential resistance, and pressure induced electronic transitions Journal of Materials Chemistry. 22: 14916. DOI: 10.1039/C2Jm16805G |
0.303 |
|
| 2012 |
Samanta PK, Periyasamy G, Manna AK, Pati SK. Computational studies on structural and optical properties of single-stranded DNA encapsulated silver/gold clusters Journal of Materials Chemistry. 22: 6774. DOI: 10.1039/C2Jm16068D |
0.642 |
|
| 2012 |
Ghosh S, Yamijala SRKCS, Pati SK, Rao C. The interaction of halogen molecules with SWNTs and graphene Rsc Adv.. 2: 1181-1188. DOI: 10.1039/C1Ra00295C |
0.496 |
|
| 2012 |
Ghosh D, Parida P, Pati SK. Electronic, Magnetic, and Transport Properties of Fen-bis(n-acene) and Fen-bis(n-BNacene) [n = 1,2,∝]: A Theoretical Study The Journal of Physical Chemistry C. 116: 18487-18494. DOI: 10.1021/Jp304592H |
0.344 |
|
| 2012 |
Sissa C, Terenziani F, Painelli A, Manna A, Pati S. Resonance energy transfer between polar charge-transfer dyes: A focus on the limits of the dipolar approximation Chemical Physics. 404: 9-15. DOI: 10.1016/J.Chemphys.2012.01.004 |
0.664 |
|
| 2012 |
Saikia N, Pati SK, Deka RC. First principles calculation on the structure and electronic properties of BNNTs functionalized with isoniazid drug molecule Applied Nanoscience. 2: 389-400. DOI: 10.1007/S13204-012-0124-6 |
0.344 |
|
| 2011 |
Ghosh D, Periyasamy G, Pati SK. Density functional theoretical investigation of the aromatic nature of BN substituted benzene and four ring polyaromatic hydrocarbons. Physical Chemistry Chemical Physics : Pccp. 13: 20627-36. PMID 21935536 DOI: 10.1039/C1Cp22104C |
0.704 |
|
| 2011 |
Maity D, Manna AK, Karthigeyan D, Kundu TK, Pati SK, Govindaraju T. Visible-near-infrared and fluorescent copper sensors based on julolidine conjugates: selective detection and fluorescence imaging in living cells. Chemistry (Weinheim An Der Bergstrasse, Germany). 17: 11152-61. PMID 21882277 DOI: 10.1002/Chem.201101906 |
0.63 |
|
| 2011 |
Sissa C, Manna AK, Terenziani F, Painelli A, Pati SK. Beyond the Förster formulation for resonance energy transfer: the role of dark states. Physical Chemistry Chemical Physics : Pccp. 13: 12734-44. PMID 21677974 DOI: 10.1039/C1Cp21004A |
0.669 |
|
| 2011 |
Das B, Choudhury B, Gomathi A, Manna AK, Pati SK, Rao CN. Interaction of inorganic nanoparticles with graphene. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 12: 937-43. PMID 21384487 DOI: 10.1002/Cphc.201001090 |
0.683 |
|
| 2011 |
Manna AK, Pati SK. Doping of graphene: A computational study Graphene and Its Fascinating Attributes. 59-75. DOI: 10.1142/9789814329361_0004 |
0.664 |
|
| 2011 |
Basheer EA, Parida P, Pati SK. Electronic and magnetic properties of BNC nanoribbons: a detailed computational study New Journal of Physics. 13: 053008. DOI: 10.1088/1367-2630/13/5/053008 |
0.345 |
|
| 2011 |
Manna AK, Pati SK. Tunable electronic and magnetic properties in B xN yC z nanohybrids: Effect of domain segregation Journal of Physical Chemistry C. 115: 10842-10850. DOI: 10.1021/Jp202195B |
0.669 |
|
| 2011 |
Das B, Choudhury B, Gomathi A, Manna AK, Pati SK, Rao CNR. Inside Cover: Interaction of Inorganic Nanoparticles with Graphene (ChemPhysChem 5/2011) Chemphyschem. 12: 882-882. DOI: 10.1002/Cphc.201190025 |
0.62 |
|
| 2010 |
Manna AK, Pati SK. Doping single-walled carbon nanotubes through molecular charge-transfer: A theoretical study Nanoscale. 2: 1190-1195. PMID 20648348 DOI: 10.1039/C0Nr00124D |
0.674 |
|
| 2010 |
Nagaraja CM, Behera JN, Maji TK, Pati SK, Rao CN. Organically-templated Kagomé compounds containing two transition metal ions. Dalton Transactions (Cambridge, England : 2003). 39: 6947-9. PMID 20571711 DOI: 10.1039/C0Dt00445F |
0.408 |
|
| 2010 |
Parida P, Kundu A, Pati SK. One-dimensional organometallic V-anthracene wire and its B-N analogue: efficient half-metallic spin filters. Physical Chemistry Chemical Physics : Pccp. 12: 6924-7. PMID 20490413 DOI: 10.1039/C004653C |
0.324 |
|
| 2010 |
Matte HS, Gomathi A, Manna AK, Late DJ, Datta R, Pati SK, Rao CN. MoS2 and WS2 analogues of graphene. Angewandte Chemie (International Ed. in English). 49: 4059-62. PMID 20425874 DOI: 10.1002/Anie.201000009 |
0.658 |
|
| 2010 |
Pandith AH, Pati SK. Conformational analysis and vibrational circular dichroism of tris(ethylenediamine)ruthenium(II) complex: a theoretical study. The Journal of Physical Chemistry. A. 114: 87-92. PMID 20000559 DOI: 10.1021/Jp904339P |
0.323 |
|
| 2010 |
Dutta S, Pati SK. Novel properties of graphene nanoribbons: a review Journal of Materials Chemistry. 20: 8207. DOI: 10.1039/C0Jm00261E |
0.738 |
|
| 2010 |
Mallajosyula SS, Pati SK. Toward DNA Conductivity: A Theoretical Perspective The Journal of Physical Chemistry Letters. 1: 1881-1894. DOI: 10.1021/Jz1003654 |
0.667 |
|
| 2010 |
Mohakud S, Alex AP, Pati SK. Ambipolar Charge Transport in α-Oligofurans: A Theoretical Study The Journal of Physical Chemistry C. 114: 20436-20442. DOI: 10.1021/Jp1047503 |
0.347 |
|
| 2010 |
Subrahmanyam K, Manna AK, Pati SK, Rao C. A study of graphene decorated with metal nanoparticles Chemical Physics Letters. 497: 70-75. DOI: 10.1016/J.Cplett.2010.07.091 |
0.691 |
|
| 2010 |
Dutta S, Pati SK. Edge reconstructions induce magnetic and metallic behavior in zigzag graphene nanoribbons Carbon. 48: 4409-4413. DOI: 10.1016/J.Carbon.2010.07.057 |
0.743 |
|
| 2009 |
Voggu R, Pati SK, Rao CN. Effect of electronic coupling between CdSe nanocrystals on the photoluminescence spectra. Journal of Nanoscience and Nanotechnology. 9: 5646-51. PMID 19928281 DOI: 10.1166/Jnn.2009.1178 |
0.423 |
|
| 2009 |
Sarish SP, Nembenna S, Roesky HW, Ott H, Pal A, Stalke D, Dutta S, Pati SK. Soluble molecular dimers of CaO and SrO stabilized by a Lewis acid. Angewandte Chemie (International Ed. in English). 48: 8740-2. PMID 19816898 DOI: 10.1002/Anie.200904054 |
0.713 |
|
| 2009 |
Mandal TK, Pati SK, Datta A. Degenerate intermolecular and intramolecular proton-transfer reactions: electronic structure of the transition states. The Journal of Physical Chemistry. A. 113: 8147-51. PMID 19606892 DOI: 10.1021/Jp9044513 |
0.558 |
|
| 2009 |
Kanoo P, Madhu C, Mostafa G, Maji TK, Sundaresan A, Pati SK, Rao CN. A planar Cu2+ (S=1/2) kagomé network pillared by 1,2-bis(4-pyridyl) ethane with interesting magnetic properties. Dalton Transactions (Cambridge, England : 2003). 5062-4. PMID 19562161 DOI: 10.1039/B905229A |
0.39 |
|
| 2009 |
Mallajosyula SS, Pati SK. Conformational tuning of magnetic interactions in metal-DNA complexes. Angewandte Chemie (International Ed. in English). 48: 4977-81. PMID 19472237 DOI: 10.1002/Anie.200806056 |
0.674 |
|
| 2009 |
Jana A, Sen SS, Roesky HW, Schulzke C, Dutta S, Pati SK. End-on nitrogen insertion of a diazo compound into a germanium(II) hydrogen bond and a comparable reaction with diethyl azodicarboxylate. Angewandte Chemie (International Ed. in English). 48: 4246-8. PMID 19425043 DOI: 10.1002/Anie.200900617 |
0.715 |
|
| 2009 |
Dutta S, Manna AK, Pati SK. Intrinsic half-metallicity in modified graphene nanoribbons. Physical Review Letters. 102: 096601. PMID 19392544 DOI: 10.1103/Physrevlett.102.096601 |
0.802 |
|
| 2009 |
Manna AK, Pati SK. Tuning the electronic structure of graphene by molecular charge transfer: a computational study. Chemistry, An Asian Journal. 4: 855-60. PMID 19322803 DOI: 10.1002/Asia.200800486 |
0.68 |
|
| 2009 |
Mallajosyula SS, Gupta A, Pati SK. Fluctuations at the base pair level effecting charge transfer in DNA. The Journal of Physical Chemistry. A. 113: 3955-62. PMID 19199677 DOI: 10.1021/Jp8101942 |
0.676 |
|
| 2009 |
Mohakud S, Pati SK. Large carrier mobilities in octathio[8]circulene crystals: a theoretical study Journal of Materials Chemistry. 19: 4356. DOI: 10.1039/B901014A |
0.309 |
|
| 2009 |
Mallajosyula SS, Parida P, Pati SK. Organometallic vanadium-borazine systems: efficient one-dimensional half-metallic spin filters J. Mater. Chem.. 19: 1761-1766. DOI: 10.1039/B810089F |
0.697 |
|
| 2009 |
Thomas R, Mallajyosula SS, Lakshmi S, Pati SK, Kulkarni G. Conjugation in 1,4-diphenylbutadiyne and 1,2-diphenylacetylene: A combined experimental and theoretical study Journal of Molecular Structure. 922: 46-50. DOI: 10.1016/J.Molstruc.2009.01.043 |
0.34 |
|
| 2009 |
Gurunatha K, Dutta S, Mostafa G, Pati SK, Maji TK. A 3D chiral supramolecular framework of Cu(II): Synthesis, structure and magneto-structural correlations Inorganica Chimica Acta. 362: 3745-3750. DOI: 10.1016/J.Ica.2009.04.033 |
0.727 |
|
| 2009 |
Dutta S, Mandal TK, Datta A, Pati SK. Understanding Peierls distortion in one-dimensional infinite V-chain and V–Bz multi-decker complex Chemical Physics Letters. 479: 133-136. DOI: 10.1016/J.Cplett.2009.08.014 |
0.776 |
|
| 2009 |
Dutta S, Pati SK. Electrical rectification Resonance. 14: 80-89. DOI: 10.1007/S12045-009-0009-5 |
0.744 |
|
| 2009 |
Mandal TK, Dutta S, Pati SK. Electronic absorption spectra and nonlinear optical properties of CO2 molecular aggregates: A quantum chemical study Journal of Chemical Sciences. 121: 873-880. DOI: 10.1007/S12039-009-0103-Y |
0.735 |
|
| 2009 |
Manna AK, Pati SK. Tuning the electronic structure of graphene by molecular charge transfer: A computational study Chemistry - An Asian Journal. 4: 855-860. DOI: 10.1002/asia.200800486 |
0.652 |
|
| 2009 |
Jana A, Sen S, Roesky H, Schulzke C, Dutta S, Pati S. End-on-Stickstoffinsertion einer Diazoverbindung in eine GeII-H-Bindung und eine vergleichbare Reaktion mit Azodicarbonsäurediethylester Angewandte Chemie. 121: 4310-4312. DOI: 10.1002/Ange.200900617 |
0.613 |
|
| 2008 |
Mallajosyula SS, Pati SK. Benzimidazole-modified single-stranded DNA: stable scaffolds for 1-dimensional spintronics constructs. The Journal of Physical Chemistry. B. 112: 16982-9. PMID 19367819 DOI: 10.1021/Jp8080782 |
0.701 |
|
| 2008 |
Pal S, Manna AK, Pati SK. The role of H bonding and dipole-dipole interactions on the electrical polarizations and charge mobilities in linear arrays of urea, thiourea, and their derivatives. The Journal of Chemical Physics. 129: 204301. PMID 19045858 DOI: 10.1063/1.3020335 |
0.644 |
|
| 2008 |
Mallajosyula SS, Lin JC, Cox DL, Pati SK, Singh RR. Sequence dependent electron transport in wet DNA: ab initio and molecular dynamics studies. Physical Review Letters. 101: 176805. PMID 18999773 DOI: 10.1103/Physrevlett.101.176805 |
0.745 |
|
| 2008 |
Pati SK, Rao CN. Kagome network compounds and their novel magnetic properties. Chemical Communications (Cambridge, England). 4683-93. PMID 18830461 DOI: 10.1039/B807207H |
0.417 |
|
| 2008 |
Dutta S, Pati SK. Half-metallicity in undoped and boron doped graphene nanoribbons in the presence of semilocal exchange-correlation interactions. The Journal of Physical Chemistry. B. 112: 1333-5. PMID 18189386 DOI: 10.1021/Jp710637C |
0.751 |
|
| 2008 |
Mohan P, Datta A, Pati SK. Structure and bonding in M-X-M systems (M=Li, Na and K; X=O, S): Effects of charge-transfer Journal of Computational Methods in Sciences and Engineering. 7: 489-494. DOI: 10.3233/Jcm-2007-75-613 |
0.529 |
|
| 2008 |
Dutta S, Lakshmi S, Pati SK. Electron-electron interactions on the edge states of graphene: A many-body configuration interaction study Physical Review B. 77. DOI: 10.1103/Physrevb.77.073412 |
0.75 |
|
| 2008 |
Dutta S, Pati SK. External electric field mediated quantum phase transitions in one-dimensional charge-ordered insulators: a density matrix renormalization group study Journal of Physics: Condensed Matter. 20: 075226. DOI: 10.1088/0953-8984/20/7/075226 |
0.73 |
|
| 2008 |
Voggu R, Pal S, Pati SK, Rao CNR. Semiconductor to metal transition in SWNTs caused by interaction with gold and platinum nanoparticles Journal of Physics: Condensed Matter. 20: 215211. DOI: 10.1088/0953-8984/20/21/215211 |
0.403 |
|
| 2008 |
Raidongia K, Jagadeesan D, Upadhyay-Kahaly M, Waghmare UV, Pati SK, Eswaramoorthy M, Rao CNR. Synthesis, structure and properties of homogeneous BC4N nanotubes J. Mater. Chem.. 18: 83-90. DOI: 10.1039/B712472D |
0.428 |
|
| 2008 |
Ghosh A, Subrahmanyam KS, Krishna KS, Datta S, Govindaraj A, Pati SK, Rao CNR. Uptake of H2 and CO2 by Graphene The Journal of Physical Chemistry C. 112: 15704-15707. DOI: 10.1021/Jp805802W |
0.421 |
|
| 2008 |
Lakshmi S, Dutta S, Pati SK. Molecular Electronics: Effect of External Electric Field The Journal of Physical Chemistry C. 112: 14718-14730. DOI: 10.1021/Jp800187E |
0.734 |
|
| 2008 |
Mallajosyula SS, Usha H, Datta A, Pati SK. Molecular modelling of a chemodosimeter for the selective detection of As(III) ion in water Journal of Chemical Sciences. 120: 627-635. DOI: 10.1007/S12039-008-0095-Z |
0.718 |
|
| 2008 |
Thomas R, Pal S, Datta A, Marchewka MK, Ratajczak H, Pati SK, Kulkarni GU. Charge density analysis of two proton transfer complexes: Understanding hydrogen bonding and determination of in-crystal dipole moments Journal of Chemical Sciences. 120: 613-620. DOI: 10.1007/S12039-008-0093-1 |
0.557 |
|
| 2008 |
Dutta S, Lakshmi S, Pati SK. Comparative study of electron conduction in azulene and naphthalene Bulletin of Materials Science. 31: 353-358. DOI: 10.1007/S12034-008-0055-8 |
0.745 |
|
| 2007 |
Parihari D, Pati SK. Diverging Heisenberg spin ladders: ground state and low energy excitations. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 19: 172201. PMID 21690935 DOI: 10.1088/0953-8984/19/17/172201 |
0.302 |
|
| 2007 |
Mallajosyula SS, Pati SK. Vanadium--benzimidazole-modified sDNA: a one-dimensional half-metallic ferromagnet. The Journal of Physical Chemistry. B. 111: 13877-80. PMID 18034472 DOI: 10.1021/Jp710274J |
0.702 |
|
| 2007 |
Mallajosyula SS, Pati SK. Effect of protonation on the electronic properties of DNA base pairs: applications for molecular electronics. The Journal of Physical Chemistry. B. 111: 11614-8. PMID 17880202 DOI: 10.1021/Jp076063M |
0.684 |
|
| 2007 |
Mallajosyula SS, Pati SK. Structure and transport characteristics of modified DNA with magnetic ions. Physical Review Letters. 98: 136601. PMID 17501225 DOI: 10.1103/Physrevlett.98.136601 |
0.668 |
|
| 2007 |
Datta A, Mohakud S, Pati SK. Electron and hole mobilities in polymorphs of benzene and naphthalene: role of intermolecular interactions. The Journal of Chemical Physics. 126: 144710. PMID 17444735 DOI: 10.1063/1.2721530 |
0.554 |
|
| 2007 |
Datta A, Mallajosyula SS, Pati SK. Nonlocal electronic distribution in metallic clusters: a critical examination of aromatic stabilization. Accounts of Chemical Research. 40: 213-21. PMID 17370993 DOI: 10.1021/Ar0682738 |
0.736 |
|
| 2007 |
Behera JN, Sundaresan A, Pati SK, Rao CN. Magnetic properties of a Ni2+ Kagome system. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 8: 217-9. PMID 17167809 DOI: 10.1002/Cphc.200600455 |
0.375 |
|
| 2007 |
Pal S, Datta A, Pati S. Role of Dipolar Interactions in Fine-Tuning the Linear and Nonlinear Optical Responses in Porphyrins Computing Letters. 3: 367-372. DOI: 10.1163/157404007782913147 |
0.543 |
|
| 2007 |
Muralidharan B, Ghosh AW, Pati SK, Datta S. Theory of high bias coulomb blockade in ultrashort molecules Ieee Transactions On Nanotechnology. 6: 536-544. DOI: 10.1109/Tnano.2007.898605 |
0.317 |
|
| 2007 |
Dutta S, Lakshmi S, Pati SK. Effect of electric field on one-dimensional insulators: a density matrix renormalization group study Journal of Physics: Condensed Matter. 19: 322201. DOI: 10.1088/0953-8984/19/32/322201 |
0.734 |
|
| 2007 |
Datta A, Mohakud S, Pati SK. Comparing the electron and hole mobilities in the α and β phases of perylene: role of π-stacking J. Mater. Chem.. 17: 1933-1938. DOI: 10.1039/B700625J |
0.545 |
|
| 2007 |
Mandal S, Green MA, Pati SK, Natarajan S. Synthesis, structure and magnetic properties of an inorganic–organic hybrid compound J. Mater. Chem.. 17: 980-985. DOI: 10.1039/B614186B |
0.302 |
|
| 2007 |
Datta A, Pati SK. Computational Design of High Hydrogen Adsorption Efficiency in Molecular “Sulflower” The Journal of Physical Chemistry C. 111: 4487-4490. DOI: 10.1021/Jp070609N |
0.538 |
|
| 2007 |
John NS, Kulkarni GU, Datta A, Pati SK, Komori F, Kavitha G, Narayana C, Sanyal MK. Magnetic Interactions in Layered Nickel Alkanethiolates The Journal of Physical Chemistry C. 111: 1868-1870. DOI: 10.1021/Jp0675072 |
0.515 |
|
| 2007 |
Datta A, Mallajosyula SS, Pati SK. Nonlocal Electronic Distribution in Metallic Clusters: A Critical Examination of Aromatic Stabilization Cheminform. 38. DOI: 10.1002/CHIN.200723219 |
0.713 |
|
| 2007 |
Datta A, Pati SK. Dipolar Interactions and Hydrogen Bonding in Supramolecular Aggregates: Unterstanding Cooperative Phenomena for 1st Hyperpolarizability Cheminform. 38. DOI: 10.1002/CHIN.200714266 |
0.448 |
|
| 2006 |
Rehaman A, Datta A, Mallajosyula SS, Pati SK. Quantifying Aromaticity at the Molecular and Supramolecular Limits: Comparing Homonuclear, Heteronuclear, and H-Bonded Systems. Journal of Chemical Theory and Computation. 2: 30-6. PMID 26626376 DOI: 10.1021/Ct0501598 |
0.755 |
|
| 2006 |
Datta A, Pati SK. Dipolar interactions and hydrogen bonding in supramolecular aggregates: understanding cooperative phenomena for 1st hyperpolarizability. Chemical Society Reviews. 35: 1305-23. PMID 17225890 DOI: 10.1039/B605478A |
0.552 |
|
| 2006 |
Thomas R, Lakshmi S, Pati SK, Kulkarni GU. Role of triple bond in 1,2-diphenylacetylene crystal: A combined experimental and theoretical study. The Journal of Physical Chemistry. B. 110: 24674-7. PMID 17134230 DOI: 10.1021/Jp0655423 |
0.343 |
|
| 2006 |
Mallajosyula SS, Datta A, Pati SK. Aromatic superclusters from all-metal aromatic and antiaromatic monomers, [Al4]2- and [Al4]4-. The Journal of Physical Chemistry. B. 110: 20098-101. PMID 17034180 DOI: 10.1021/Jp064821N |
0.735 |
|
| 2006 |
Mohan PJ, Datta A, Mallajosyula SS, Pati SK. Structures of nucleobases trapped within Au triangles and its effects on hydrogen bonding in base pairs of DNA. The Journal of Physical Chemistry. B. 110: 18661-4. PMID 16970496 DOI: 10.1021/Jp0639041 |
0.746 |
|
| 2006 |
Mallajosyula SS, Datta A, Pati SK. Conformational preference in heteroatomic analogues of ethane, H3X-YH3 (X = B, Al; Y = N, P): implications of charge transfer. The Journal of Physical Chemistry. A. 110: 5156-63. PMID 16610839 DOI: 10.1021/Jp0575761 |
0.739 |
|
| 2006 |
Sarkar S, Datta A, Mondal A, Chopra D, Ribas J, Rajak KK, Sairam S M S, Pati SK. Competing magnetic interactions in a dinuclear Ni(II) complex: antiferromagnetic O-H...O moiety and ferromagnetic N3- ligand. The Journal of Physical Chemistry. B. 110: 12-5. PMID 16471488 DOI: 10.1021/Jp0556963 |
0.523 |
|
| 2006 |
Lakshmi S, Pati SK. Effect of electron-phonon coupling on the conductance of a one-dimensional molecular wire. The Journal of Chemical Physics. 121: 11998-2004. PMID 15634162 DOI: 10.1063/1.1817857 |
0.33 |
|
| 2006 |
Datta A, Pati SK. Limit to puckering of benzene with sterically crowded molecules: Hexaferrocenylbenzene Chemical Physics Letters. 433: 67-70. DOI: 10.1016/J.Cplett.2006.11.020 |
0.521 |
|
| 2006 |
Datta A, Pati SK. Stability of cyclic (H2O)n clusters within molecular solids: Role of aromaticity International Journal of Quantum Chemistry. 106: 1697-1702. DOI: 10.1002/Qua.20907 |
0.548 |
|
| 2006 |
Datta A, Pati SK. New Examples of Metalloaromatic Al-Clusters: (Al4M4)Fe(CO)3 (M: Li, Na and K) and (Al4M4)2Ni: Rationalization for Possible Synthesis. Cheminform. 37. DOI: 10.1002/CHIN.200603001 |
0.409 |
|
| 2005 |
Datta A, Pati SK. Rationalization of the π-σ (Anti)aromaticity in All Metal Molecular Clusters. Journal of Chemical Theory and Computation. 1: 824-6. PMID 26641897 DOI: 10.1021/Ct0501351 |
0.529 |
|
| 2005 |
Datta A, Pati SK, Davis D, Sreekumar K. Odd-even oscillations in first hyperpolarizability of dipolar chromophores: role of conformations of spacers. The Journal of Physical Chemistry. A. 109: 4112-7. PMID 16833734 DOI: 10.1021/Jp045449J |
0.521 |
|
| 2005 |
Pati SK, Rao CN. Role of the spin magnitude of the magnetic ion in determining the frustration and low-temperature properties of kagome lattices. The Journal of Chemical Physics. 123: 234703. PMID 16392940 DOI: 10.1063/1.2136873 |
0.42 |
|
| 2005 |
Datta A, John NS, Kulkarni GU, Pati SK. Aromaticity in stable tiara nickel thiolates: computational and structural analysis. The Journal of Physical Chemistry. A. 109: 11647-9. PMID 16366612 DOI: 10.1021/Jp055344W |
0.556 |
|
| 2005 |
Datta A, Pati SK. New examples of metalloaromatic Al-clusters: (Al4M4)Fe(CO)3 (M = Li, Na and K) and (Al4M4)2Ni: rationalization for possible synthesis. Chemical Communications (Cambridge, England). 5032-4. PMID 16220161 DOI: 10.1039/B508123H |
0.512 |
|
| 2005 |
Datta A, Pati SK. Nonlinear optical properties in calix[n]arenes: orientation effects of monomers. Chemistry (Weinheim An Der Bergstrasse, Germany). 11: 4961-9. PMID 15973743 DOI: 10.1002/Chem.200401205 |
0.552 |
|
| 2005 |
Datta A, Pati SK. Stable transition metal complexes of an all-metal antiaromatic molecule (Al4Li4): role of complexations. Journal of the American Chemical Society. 127: 3496-500. PMID 15755170 DOI: 10.1021/Ja044344R |
0.532 |
|
| 2005 |
Datta A, Pati SK. Li and Be clusters: Structure, bonding and odd-even effects in half-filled systems Computing Letters. 1: 271-276. DOI: 10.1163/157404005776611475 |
0.525 |
|
| 2005 |
Lakshmi S, Datta A, Pati SK. Long-range electron transfer across aπ-conjugated chain: Role of electron correlations Physical Review B. 72. DOI: 10.1103/Physrevb.72.045131 |
0.547 |
|
| 2005 |
Datta A, Pati SK. Linear and nonlinear optical polarizabilities in supramolecular aggregates: Effects of hydrogen bonding and dipolar interactions Journal of Molecular Structure: Theochem. 756: 97-102. DOI: 10.1016/J.Theochem.2005.08.025 |
0.544 |
|
| 2005 |
Datta A, Pati SK. Proton-pump mechanism in retinal Schiff base: On the molecular structure of the M-state Synthetic Metals. 155: 402-405. DOI: 10.1016/J.Synthmet.2005.09.023 |
0.522 |
|
| 2005 |
Mallajosyula SS, Datta A, Pati SK. Structure and electronic properties of the Watson–Crick base pairs: Role of hydrogen bonding Synthetic Metals. 155: 398-401. DOI: 10.1016/J.Synthmet.2005.09.022 |
0.748 |
|
| 2005 |
Davis D, Sreekumar K, Pati SK. Designing effective nonlinear optical (NLO) materials with chiral substituents Synthetic Metals. 155: 384-388. DOI: 10.1016/J.Synthmet.2005.09.019 |
0.304 |
|
| 2005 |
Lakshmi S, Pati SK. Negative differential resistance in a one-dimensional molecular wire with odd number of atoms Pramana. 65: 593-599. DOI: 10.1007/Bf03010447 |
0.315 |
|
| 2005 |
Datta A, Pati SK. Charge-Transfer Induced Large Nonlinear Optical Properties of Small Al Clusters: Al4M4 (M: Li, Na, and K). Cheminform. 36. DOI: 10.1002/CHIN.200502003 |
0.448 |
|
| 2004 |
Pati SK. Extremely large nonlinear absorption cross-sections in organic polymeric chains Europhysics Letters (Epl). 68: 426-432. DOI: 10.1209/Epl/I2004-10208-4 |
0.33 |
|
| 2004 |
Pati SK, Ramasesha S. Model exact many-body studies of charge transfer through bridged systems Journal of Physics: Condensed Matter. 16: 989-996. DOI: 10.1088/0953-8984/16/6/026 |
0.555 |
|
| 2004 |
Datta A, Pati SK. Charge-Transfer Induced Large Nonlinear Optical Properties of Small Al Clusters: Al4M4(M = Li, Na, and K) The Journal of Physical Chemistry A. 108: 9527-9530. DOI: 10.1021/Jp047204C |
0.545 |
|
| 2004 |
Datta A, Pati SK. Effects of Dipole Orientations on Nonlinear Optical Properties of Oxo-Bridged Dinitroaniline Systems The Journal of Physical Chemistry A. 108: 320-325. DOI: 10.1021/Jp030801Z |
0.557 |
|
| 2003 |
Datta A, Pati SK. Dipole orientation effects on nonlinear optical properties of organic molecular aggregates The Journal of Chemical Physics. 118: 8420-8427. DOI: 10.1063/1.1565320 |
0.558 |
|
| 2003 |
Pati SK. Transport in molecular wire with long-range Coulomb interactions: A mean-field approach The Journal of Chemical Physics. 118: 6529-6535. DOI: 10.1063/1.1558034 |
0.323 |
|
| 2003 |
Lakshmi S, Pati SK. Electrostatic potential profile and nonlinear current in an interacting one-dimensional molecular wire Journal of Chemical Sciences. 115: 533-542. DOI: 10.1007/Bf02708245 |
0.314 |
|
| 2002 |
Endres RG, Cox DL, Singh RR, Pati SK. Mediation of long range charge transfer by Kondo bound States. Physical Review Letters. 88: 166601. PMID 11955244 DOI: 10.1103/Physrevlett.88.166601 |
0.592 |
|
| 2001 |
Pati SK, Marks TJ, Ratner MA. Conformationally tuned large two-photon absorption cross sections in simple molecular chromophores. Journal of the American Chemical Society. 123: 7287-91. PMID 11472155 DOI: 10.1021/Ja0033281 |
0.417 |
|
| 2001 |
Avinash V, Pati SK. Effects of competing interactions on low-energy characteristics of a spin-1/2 cubic cluster Journal of Physics: Condensed Matter. 13: 11697-11706. DOI: 10.1088/0953-8984/13/50/329 |
0.306 |
|
| 2000 |
Ramasesha S, Pati SK, Shuai Z, Brédas JL. The density matrix renormalization group method: Application to the low-lying electronic states in conjugated polymers Advances in Quantum Chemistry. 38: 121-215. DOI: 10.1016/S0065-3276(00)38004-2 |
0.563 |
|
| 1999 |
Tandon K, Lal S, Pati SK, Ramasesha S, Sen D. Magnetization properties of some quantum spin ladders Physical Review B. 59: 396-410. DOI: 10.1103/Physrevb.59.396 |
0.519 |
|
| 1999 |
Pati SK, Ramasesha S, Shuai Z, Brédas JL. Dynamical nonlinear optical coefficients from the symmetrized density-matrix renormalization-group method Physical Review B. 59: 14827-14830. DOI: 10.1103/Physrevb.59.14827 |
0.514 |
|
| 1999 |
Anusooya Y, Pati SK, Ramasesha S. Density-matrix renormalization group studies of metal-halogen chains within a two-band extended Peierls-Hubbard model Journal of Physics: Condensed Matter. 11: 2395-2412. DOI: 10.1088/0953-8984/11/11/010 |
0.564 |
|
| 1998 |
Shuai Z, Brédas JL, Pati SK, Ramasesha S. Exciton binding energy in the strong correlation limit of conjugated chains Physical Review B. 58: 15329-15332. DOI: 10.1103/Physrevb.58.15329 |
0.526 |
|
| 1998 |
Anusooya Y, Chakrabarti A, Pati SK, Ramasesha S. Ring currents in condensed ring systems International Journal of Quantum Chemistry. 70: 503-513. DOI: 10.1002/(Sici)1097-461X(1998)70:3<503::Aid-Qua6>3.0.Co;2-Y |
0.515 |
|
| 1997 |
Pati SK, Ramasesha S, Sen D. Low-lying excited states and low-temperature properties of an alternating spin-1–spin-1/2 chain: A density-matrix renormalization-group study Physical Review B. 55: 8894-8904. DOI: 10.1103/Physrevb.55.8894 |
0.524 |
|
| 1997 |
Shuai Z, Pati SK, Su WP, Brédas JL, Ramasesha S. Binding energy of1Businglet excitons in the one-dimensional extended Hubbard-Peierls model Physical Review B. 55: 15368-15371. DOI: 10.1103/Physrevb.55.15368 |
0.528 |
|
| 1997 |
Pati SK, Ramasesha S, Sen D. A density matrix renormalization group study of low-energy excitations and low-temperature properties of alternating spin systems Journal of Physics: Condensed Matter. 9: 8707-8726. DOI: 10.1088/0953-8984/9/41/016 |
0.531 |
|
| 1997 |
Pati S, Chitra R, Sen D, Ramasesha S, Krishnamurthy HR. A comparative study of the phase diagrams of spin-1/2 and spin-1 antiferromagnetic chains with dimerization and frustration Journal of Physics Condensed Matter. 9: 219-230. DOI: 10.1088/0953-8984/9/1/023 |
0.5 |
|
| 1997 |
Anusooya Y, Pati SK, Ramasesha S. Symmetrized density matrix renormalization group studies of the properties of low-lying states of the poly-para-phenylene system The Journal of Chemical Physics. 106: 10230-10237. DOI: 10.1063/1.474076 |
0.533 |
|
| 1997 |
Ramasesha S, Pati SK, Krishnamurthy H, Shuai Z, Brédas J. Low-lying electronic excitations and nonlinear optic properties of polymers via symmetrized density matrix renormalization group method Synthetic Metals. 85: 1019-1022. DOI: 10.1016/S0379-6779(97)80136-1 |
0.461 |
|
| 1997 |
Ramasesha S, Pati SK, Krishnamurthy HR, Shuai Z, Brédas JL. Low-lying electronic excitations and nonlinear optic properties of polymers via symmetrized density matrix renormalization group method Synthetic Metals. 85: 1019-1022. DOI: 10.1016/S0379-6779(97)80136-1 |
0.527 |
|
| 1997 |
Shuai Z, Pati S, Brédas J, Ramasesha S. DMRG studies of the IB exciton binding energy and 1B/2A crossover in an extended Hubbard-Peierls model Synthetic Metals. 85: 1011-1014. DOI: 10.1016/S0379-6779(97)80134-8 |
0.505 |
|
| 1996 |
Ramasesha S, Pati SK, Krishnamurthy HR, Shuai Z, Brédas JL. Symmetrized density-matrix renormalization-group method for excited states of Hubbard models. Physical Review. B, Condensed Matter. 54: 7598-7601. PMID 9984413 DOI: 10.1103/Physrevb.54.7598 |
0.544 |
|
| 1996 |
Pati S, Chitra R, Sen D, Krishnamurthy HR, Ramasesha S. Phase diagram of the spin-one Heisenberg system with dimerization and frustration Europhysics Letters. 33: 707-712. DOI: 10.1209/Epl/I1996-00403-3 |
0.504 |
|
| 1995 |
Chitra R, Pati S, Krishnamurthy HR, Sen D, Ramasesha S. Density-matrix renormalization-group studies of the spin-1/2 Heisenberg system with dimerization and frustration. Physical Review. B, Condensed Matter. 52: 6581-6587. PMID 9981887 DOI: 10.1103/Physrevb.52.6581 |
0.516 |
|
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