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  1. Karteek K. Bejagam , RC Remsing , Michael L. Klein , and S. Balasubramanian, Understanding the self-assembly of amino ester-based benzene-1, 3, 5-tricarboxamides using molecular dynamics simulations, Physical Chemistry Chemical Physics (2016). In Press.

  2. S. Sarkar, S. Banerjee, P. Halappa, D. Kalsi, D. Mumbaraddi, S. Ghara, S. K. Pati, A. Sundaresan, I. D. Silva, S. Rayaprol, B. Joseph and S. C. Peter, Synthetically Tuned Structural Variations in CePdxGe2-x (x = 0.21, 0.32, 0.69) towards Diverse Physical Properties, Inorg. Chem. Frontiers (2016). In Press.

  3. Dibyajyoti Ghosh and Swapan K. Pati, Trapping of Gaseous Pollutants on Defective N-doped Graphene, Phys. Chem. Chem. Phys. (2016). In Press.

  4. Shubhajit Das and Swapan K. Pati, On the Mechanism of Frustrated Lewis Pair Catalysed Hydrogenation of Carbonyl Compounds, Chem-Euro. J (2016). In Press.

  5. Pallavi Bothra and Swapan K. Pati, Activity of Water Oxidation on Pure and (Fe, Ni, and Cu)-Substituted Co3O4, ACS Energy Lett. 1, 858 - 862 (2016).

  6. R. Jana, A. Bhim, P. Bothra, S. K. Pati and P. C. Sebastian, Electrochemical Dealloying of PdCu3 Nanoparticles to Achieve Pt-like Activity for the Hydrogen Evolution Reaction, ChemSusChem 9, 2922 - 2927 (2016).

  7. V. Rajaji, P. S. Malavi, SSRKC Yamijala, Y.A. Sorb, U. Dutta, S. N. Guin, B. Joseph, S. K. Pati, S. Karmakar, K. Biswas and C. Narayana, Pressure induced structural, electronic topological and semiconductor to metal transition in AgBiSe2, Appl. Phys. Lett 109, 171903 - 171905 (2016).

  8. P Ray, S Bonakala, S Balasubramanian, Modelling adsorption in fluorinated TKL MOFs, Molecular Simulation (2016). In Press.

  9. S. Manchineella and T. Govindaraju, Molecular self-assembly of cyclic dipeptide derivatives and their applications (Invited article for 5th Anniversary Special Issue), ChemPlusChem (2016). In Press.,

     



  10. M. Pandeeswar, S. P. Senanayak and T. Govindaraju, Nanoarchitectonics of small molecule and DNA for ultrasensitive detection of mercury   , ACS Appl. Mater. Interfaces (2016). In Press.,

     



  11. Y. V. Suseela, S. Das, S. K. Pati and T. Govindaraju, Imidazolyl-naphthalenediimide-based threading intercalators of DNA , ChemBioChem (2016). In Press.,

     



  12. M. B. Avinash, K. V. Sandeepa, and T. Govindaraju, Emergent behaviors in kinetically controlled dynamic self-assembly of synthetic molecular systems , ACS Omega 1, 378 - 387 (2016). ,

     



  13. V. Rajaji, Pallavi S. Malavi, Sharma S. R. K. C. Yamijala, Y. A. Sorb, Utpal Dutta, Satya N. Guin, B. Joseph, Swapan K. Pati, S. Karmakar, Kanishka Biswas and Chandrabhas Narayana, Pressure induced structural, electronic topological, and semiconductor to metal transition in AgBiSe2, Applied Physics Letters 109, 171903 (2016).

  14. Sudip Das, Tarak Karmakar and S. Balasubramanian, Molecular Mechanism Behind Solvent Concentration-Dependent Optimal Activity of Thermomyces lanuginosus Lipase in a Biocompatible Ionic Liquid: Interfacial Activation Through Arginine Switch, Journal of Physical Chemistry B 120, 11720 - 11732 (2016).

  15. Tarak Karmakar and S. Balasubramanian, Molecular Dynamics and Free Energy Simulations of Phenylacetate and CO2 Release from AMDase and its G74C/C188S Mutant: A Possible Rationale for the Reduced Activity of the Latter, Journal of Physical Chemistry B 120, 11644 - 11653 (2016).

  16. Subir K. Das and Saikat Chakraborty, Kinetics of Ferromagnetic Ordering in 3D Ising Model: Do we understand the case of zero temperature quench? (submitted), (2016).

  17. S. Ramani, S. Sarkar, V. Vemuri and S. C. Peter, Chemically Designed CeO2 Nanoboxes Boost the Catalytic Activity of Pt Nanoparticles toward Electro-oxidation of Formic Acid, J. Mater. Chem. A (2016). In Press.

  18. S. Roy, A. Hazra, A. Bandyopadhyay, D. Raut, P. Madhuri, D. S. Rao, U. Ramamurty, S. K. Pati, S. K. Prasad and T. K. Maji, Reversible Polymorphism, Liquid Crystallinity, and Stimuli-Responsive Luminescence in a Bola-amphiphilic π-System: Structure–Property Correlations Through Nanoindentation and DFT Calculations, J. Phys. Chem. Lett. 7, 4085 - 4092 (2016).

  19. S. Sanyal, A. Painelli, S. K. Pati, F. Terenziani and C. Sissa, Aggregates of quadrupolar dyes for two-photon absorption: the role of intermolecular interactions, Phys. Chem. Chem. Phys. 18, 28198 - 28208 (2016).

  20. P. Sutar and T. K. Maji, Bimodal self-assembly of an amphiphilic gelator to hydrogel-nanocatalyst and organogel of different morphologies and photophysical properties, Chem. Commun (2016). In Press.

  21. S. Roy, A. Hazra, A. Bandyopadhyay, D. Raut, P. L. Madhuri, D. S. Shankar Rao, U. Ramamurty, S. K. Pati, S. K. Prasad and T. K. Maji, Reversible Polymorphism, Liquid Crystallinity, and Stimuli-Responsive Luminescence in a Bola-amphiphilic π-System: Structure–Property Correlations Through Nanoindentation and DFT Calculations, J. Phys. Chem. Lett. 7, 4086 - 4092 (2016).

  22. Anirban Mondal and S. Balasubramanian, Proton Hopping Mechanisms in a Protic Organic Ionic Plastic Crystal (Weblink), Journal of Physical Chemistry C 120, 22903 - 22909 (2016).

  23. Amitha Shetty, Avijit Saha, Mahima Makkar and Ranjani Viswanatha, Ligand assisted digestion and formation of monodisperse FeCoS2 nanocrystals, (2016). In Press.

  24. G. Krishnamurthy Grandhi, Arunkumar M. and Ranjani Viswanatha, Understanding the Role of Surface Capping Ligands in Passivating the Quantum Dots Using Copper Dopants as Internal Sensor, J. Phys. Chem. C 120, 19785 - 19795 (2016).

  25. Avijit Saha, Soma Chattopadhyay, Tomohiro Shibata and Ranjani Viswanatha, Core–Shell to Doped Quantum Dots: Evolution of the Local Environment Using XAFS, J. Phys. Chem. C 120, 18945 - 18951 (2016).

  26. Avijit Saha, Amitha Shetty, Pavan A. R., Soma Chattopadhyay, Tomahiro Shibata and Ranjani Viswanatha, Uniform Doping in Quantum-Dots-Based Dilute Magnetic Semiconductor, J. Phys. Chem. Lett. 7, 2420 - 2428 (2016).

  27. Ananya Banik, U. Sandya Shenoy, Sujoy Saha, Umesh V. Wagmare and Kanishka, High power factor and enhanced thermoelectric performance of SnTe-AgInTe2: Synergistic effect of resonance level and valence band convergence, J. Am. Chem. Soc (2016). In Press.

  28. Sujoy Saha, Ananya Banik and Kanishka Biswas, Few Layer Nanosheets of n-type SnSe2, Chem-Euro. J (2016). In Press.

  29. Suresh Perumal, Subhajit Roychowdhury and Kanishka Biswas, High Performance thermoelectric materials and devices based on GeTe (Review Article), J. Mater. Chem. C 4, 7520 - 7536 (2016).

  30. U. Subbarao, M. K. Amshumali, B Loukya, D. K. Singh, R. Datta, V. S. Marakkatti and S. C. Peter, Size and Morphology Controlled NiSe Nanoparticles as Efficient Catalyst for the Reduction Reactions, J. Solid State Chem (2016). In Press.

  31. Madhuri Mukhopadhyay, Bradraj Pandey and Swapan K Pati, Tuning the optically bright and dark states of doped graphene quantum dots, Phys. Rev. Appl. (2016). In Press.

  32. Jiarul Midya and Subir K. Das, Droplet growth during vapor-liquid transition in a 2D Lennard-Jones fluid, (submitted), (2016).

  33. Jiarul Midya and Subir K. Das, Finite-size scaling study of dynamic critical phenomena in a vapor-liquid transition  (submitted), (2016).

  34. Subhajit Paul and Subir K. Das, Clustering in Freely Cooling Granular Gas: Ballistic Aggregation and Aging (submitted), (2016).

  35. Y. V. Suseela, Shubhajit Das, Swapan K pati and T. Govindaraju, Imidazolyl-Naphthalenediimide Based Threading Intercalators of DNA, ChemBioChem (2016). In Press.

  36. U. Subbarao, S. Roy, S. Ch. Sarma, S. Sarkar, V. Mishra, Y. Khulbe and S. C. Peter, Metal Flux Growth, Structural Relations and Physical Properties of EuCu2Ge2 and Eu3T2In9 (T = Cu and Ag), Inorg. Chem (2016). In Press.

  37. M.B. Sreedhara, K. Gopalakrishnan, B. Bharath, Ram Kumar, G.U. Kulkarni and C.N.R. Rao , Properties of nanosheets of 2D-borocarbonitrides related to energy devices, transistors and other areas, Chem. Phys. Lett. (2016). In Press.

  38. R. Jana, A. Bhim, P. Bothra, S. K. Pati and S. C. Peter, Manipulating Hydrogen Adsorption Energy and d-band Centre through Electrochemical Dealloying of PdCu3 Nanoparticle to Achieve Pt-like Activity for Hydrogen Evolution Reaction, ChemSusChem (2016). In Press.

  39. Aritreyee Datta*, Vikas Yadav*, ............, Kaustuv Sanyal, Ayyalusamy Ramamoorthy and Anirban Bhunia, Mode of Action of a Designed Antimicrobial Peptide: High Efficiency in Killing of the Human Fungal Pathogen Cryptococcus neoformans, Biophysical Journal (2016). In Press.,

      * equally contributed



  40. A. Chakraborty, A. Escuer, J. Ribas and T. K. Maji, A Discrete CuII6 cluster and a 3D MnII-CuII Framework Based on Assembly of Mn2Cu4 Cluster, Synthesis, Structure and Magnetic Properties, Dalton Trans. 45, 15523 - 15531 (2016).

  41. A. Chakraborty, A. Achari, M. Eswaramoorthy and T. K. Maji, MOF-aminoclay composites for superior CO2 capture, separation and enhanced catalytic activity in chemical fixation of CO2, Chem. Commun. 52, 11378 - 11381 (2016).

  42. P. Kanoo, R. Haldar, S. K. Reddy, A. Hazra, S. Bonakala, R. Matsuda, S. Kitagawa, S. Balasubramanian and T. K. Maji, Crystal Dynamics in Multi-stimuli Responsive Entangled Metal-Organic Frameworks, Chem. Eur. J. 22, 1 - 11 (2016).

  43. Bastola Narayan, Y. A. Sorb, B. Loukya, Atanu Samanta, Anatoliy Senyshyn, Ranjan Datta, Abhishek Kumar Singh, Chandrabhas Narayana and Rajeev Ranjan, Interferroelectric transition as another manifestation of intrinsic size effect in ferroelectrics, Physical Review B 94, 104104 (2016).

  44. Nagamalleswararao Dasari, S. R. K. C. Sharma Yamijala, Manish Jain, T. Saha Dasgupta, Juana Moreno, Mark Jarrell and N. S. Vidhyadhiraja, A first principles investigation of cubic BaRuO3: A Hund's metal, Physical Review B (2016). In Press.

  45. Nagamalleswararao Dasari, Wasim Raja Mondal, Peng Zhang, Juana Moreno, Mark Jarrell and N. S. Vidhyadhiraja, A multi-orbital iterated perturbation theory for model Hamiltonians and real material-specific calculations of correlated systems, European Physical Journal B (2016). In Press.

  46. Sudeshna Sen and N. S. Vidhyadhiraja, Quantum critical Mott transitions in a bilayer Kondo insulator-metal model system, Physical Review B 95, 155136 (2016).

  47. Swagata Acharya, Amal Medhi, N S Vidhyadhiraja and A Taraphder, Feasibility of a metamagnetic transition in correlated systems, Journal of Physics: Condensed Matter 28, 116001 (2016).

  48. Shuo Liu, B. Phillabaum, E. W. Carlson, K. A. Dahmen, N. S. Vidhyadhiraja, M. M. Qazilbash and D. N. Basov, Random Field Driven Spatial Complexity at the Mott Transition in VO2, Physical Review letters 116, 036401 (2016).

  49. S. Walia, R. Gupta, K. D. M. Rao and G. U. Kulkarni, Transparent Pd Wire Network based Areal Hydrogen Sensor with Inherent Joule Heater, ACS Appl. Mater. Inter. (2016). In Press.

  50. S. Manchineella, G. Thrivikraman, B. Basu and T. Govindaraju, Surface functionalized silk fibroin films as a platform to guide neuron-like differentiation of human mesenchymal stem cells, ACS Appl. Mater. Interfaces 8, 22849 - 22859 (2016). ,

     



  51. S. A. Adalikwu, A. Chakraborty, A. Hazra, D. Ghosh, S. K. Pati and T. K. Maji, 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 (2016).

  52. Sowmya Palimar, S. D. Kaushik, V. Siruguri, Diptikanta Swain, Alison E. Viegas, handrabhas Narayana and Nalini G. Sundaram, Investigation of Ca substitution on the gas sensing potential of LaFeO3 nanoparticles towards low concentration SO2 gas, Dalton Transactions 45, 13547 - 13555 (2016).

  53. M. Kumar, S. Roy, S. C. Peter, M. S. H. Faizi and R. P. John, Synthesis, characterization, X-ray crystal structure and luminescence properties of a benzohydrazide based ligand and its mononuclear zinc(II) complex, J. Mol. Struct. (2016). In Press.

  54. S. Roy, Tarak Karmakar, L. K. Nagappa, S. Balasubramanian, H. Balaram, Role of W181 in Modulating Kinetic Properties of Plasmodium falciparum Hypoxanthine Guanine Xanthine Phosphoribosyltransferase, Proteins: Structure, Function, and Bioinformatics 84, 1658 - 1669 (2016).

  55. R. Jana, S. Dhiman and S. C. Peter, Facile solvothermal synthesis of highly active and robust Pd1.87Cu0.11Sn electrocatalyst towards direct ethanol fuel cell applications, Materials Research Express (2016). In Press.

  56. Tarak Karmakar, S. Roy, H. Balaram, M. K. Prakash, S. Balasubramanian, Product Release Pathways in Human and Plasmodium falciparum Phosphoribosyltransferase, Journal of Chemical Information and Modeling 56, 1528 - 1538 (2016).

  57. Pallavi Kakade, Parag Sadhale, Kaustuv Sanyal and Valakunja Nagaraja, ZCF32, a fungus specific Zn(II)2-Cys6 transcription factor, is a repressor of the biofilm development in the human pathogen Candida albicans, Scientific Reports (2016). In Press.

  58. Prajith Karadan, Siju John, Aji A. Anappara, Chandrabhas Narayana and Harish C. Barshilia, Evolution mechanism of mesoporous silicon nanopillars grown by metal-assisted chemical etching and nanosphere lithography: correlation of Raman spectra and red photoluminescence, Applied Physics A 122, 669 (2016).

  59. Rana Saha, K. Vasu, D. S. Negi, R. Datta, A. Sundaresan and C. N. R. Rao, Exchange bias at low fields exhibited by the interface between epitaxial layers of ferromagnetic and charge-ordered rare-earth manganites, Phys Status Solidi RRL 1 - 5 (2016).

  60. Satya N. Guin, Swastika Banerjee, Dirtha Sanyal, Swapan K. Pati and Kanishka Biswas, Origin of the Order-Disorder Transition and the Associated Anomalous Change of Thermopower in AgBiS2 Nanocrystals: A Combined Experimental and Theoretical Study, Inorg. Chem 55, 6323 - 6331 (2016).

  61. Subhajit Roychowdhury, U. Sandhya Shenoy, Umesh V. Waghmare and Kanishka Biswas, Effect of potassium doping on electronic structure and thermoelectric properties of topological crystalline insulator, Appl. Phys. Lett 108, 193901 - 193905 (2016).

  62. Rana Saha, F. Fauth, M. Avdeev, P. Kayser, B. J. Kennedy and A. Sundaresan, Magnetodielectric effect in A-site cation ordered chromate spinels, LiMCr4O8 (M = Ga and In), Phys. Rev. B 94, 644201 - 644209 (2016).

  63. G. Sharada, P. Mahale, B. P. Kore, S. Mukherjee, M. S. Pavan, C. De, S. Ghara, A. Sundaresan, T. N. Guru Row and D. D. Sarma, Is CH3NH3PbI3 Polar?, J. Phys. Chem. Lett 7, 2412 - 2419 (2016).

  64. Rana Saha, Somnath Ghara, E. Suard, D. H. Jang, K. H. Kim, Nikita Ter-Oganessian and A. Sundaresan, Magnetoelectric effect in simple collinear antiferromagnetic spinels, Phys. Rev. B 94, 14428 - 14434 (2016).

  65. S. N. Guin, S. Banerjee, D. Sanyal, Swapan K Pati and K. Biswas, Origin of the Order–Disorder Transition and the Associated Anomalous Change of Thermopower in AgBiS2 Nanocrystals: A Combined Experimental and Theoretical Study, Inorg. Chem 55, 6323 - 6331 (2016).

  66. K. Rajasekhar, C. Madhu and T. Govindaraju, Natural tripeptide-based inhibitor of multifaceted amyloid β toxicity, ACS Chem. Neurosci. 7, 1300 - 1310 (2016). ,

     



  67. Sananda Biswas and Shobhana Narasimhan, Bromine as a Preferred Etchant for Si Surfaces in the Supersaturation Regime: Insights from Calculations of Atomic Scale Reaction Pathways, J. Phys. Chem. C (2016). In Press.

  68. Pallavi Bothra, Mohnish Pandey and Swapan K. Pati, Size-Selective electrocatalytic activity of (Pt)n/MoS2 for oxygen reduction reaction, Catalysis Science & Technology 6, 6389 - 6395 (2016).

  69. M. Pandeeswar, S. P. Senanayak, K. S. Narayan and T. Govindaraju, Multi-stimuli responsive charge-transfer hydrogel for room temperature organic ferroelectric thin-film devices     , J. Am. Chem. Soc. 138, 8259 - 8268 (2016). ,

     



  70. N. Narayanaswamy, R. R. Nair, Y. V. Suseela, D. K. Saini and T. Govindaraju, Molecular beacon-based DNA switch for reversible pH sensing in vesicles and live cells       , Chem. Commun. 52, 8741 - 8744 (2016). ,

     



  71. N. Sikdar, D. Dutta, R. Haldar, T. Ray, A. Hazra, A. J. Bhattacharyya and T. K. Maji, Coordination-Driven Fluorescent J-Aggregates in a Perylenetetracarboxylate-Based MOF: Permanent Porosity and Proton Conductivity, J. Phys. Chem. C 120, 13622 - 13629 (2016).

  72. S. A . Adalikwu, A. Chakraborty, A. Hazra, D. Ghosh, S. K. Pati and T. K. Maji, 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 (2016).

  73. S. Roy, O. B. Chanu, S. Sarkar and S. C. Peter, Colorimetric Selective Cu2+ Detection by Lanthanide based Hybrid Complexes Associated with a Single Crystal Growth Mediated Transformation, J. Mater. Chem. C (2016). In Press.

  74. R. S. Joshya, V. Rajaji, Chandrabhas Narayana, A. Mascarenhas and R. N. Kini, Anharmonicity in light scattering by optical phonons in GaAs1-xBix, Journal of Applied Physics 119, 205706 (2016).

  75. R. Gupta, K. D. M. Rao, S. Kiruthika and Giridhar U. Kulkarni, Visibly Transparent Heaters, ACS Appl. Mater. Inter. 8, 12559 - 12575 (2016).

  76. Subir K. Das, Pattern, Growth and Aging in a Colony of Clustering Active Swimmers, (2016).

  77. Mohnish Pandey, Pallavi Bothra and Swapan K Pati, Phase Transition of MoS 2 Bilayer Structures, J. Phys. Chem. C 120, 3776 - 3780 (2016).

  78. Arkamita Bandyopadhyay and Swapan K Pati, Role of Donor Acceptor Macrocycles in Sequence Specific Peptide Recognition and their Optoelectronic Properties: A Detailed Computational Insight, Phys. Chem. Chem. Phys. 18, 20682 - 20690 (2016).

  79. Pallavi Bothra and Swapan K Pati, Towards methanol synthesis from CO2 and H2 on Iridium clusters, (2016).

  80. P. Kumar, SRKC Chaitanya Sharma and Swapan K Pati, Optical Unzipping of Carbon Nanotubes in Liquid Media, J. Phys. Chem. C 120, 16985 - 16993 (2016).

  81. Swastika Banerjee and Swapan K Pati, Anodic performance of Black Phosphorus in Magnesium-ion Battery: The Significance of Mg-P Bond-synergy, Chem. Commun. 52, 8381 - 8384 (2016).

  82. Swastika Banerjee and Swapan K Pati, Charge-Transport Anisotropy in Black Phosphorus: Critical dependence on the number of layers, Phys. Chem. Chem. Phys. 18, 16345 - 16352 (2016).

  83. Sudhir H. Ranganath, Zhixiang Tong, Oren Levy, Keir Martyn, Jeffrey M. Karp and Maneesha S. Inamdar, Controlled Inhibition of the Mesenchymal Stromal Cell Pro-inflammatory Secretome via Microparticle Engineering, Stem Cell Reports (2016). In Press.

  84. Udumula Subbarao, Sumanta Sarkar, Rajkumar Jana, Saurav K. Bera and Sebastian C. Peter, Enhanced Air Stability in REPb3 (RE = Rare earths) by Dimensional Reduction Mediated Valence Transition, Inorg. Chem 55, 5603 - 5611 (2016).

  85. Mahesh Kumar, Praveen Kumar, Pooja Devi and SM Shivaprasad, Formation of low-dimensional GaN on trenched Si(5 5 12), probed by STM and XPS, Materials Research Express 3, 035010 (2016).

  86. Praveen Kumar, Pooja Devi, Mahesh Kumar and S.M. Shivaprasad, Optimization of energy and fluence of N2+ ions in the conversion of Al2O3 surface into AlN at room temperature, , Appl. Surf. Sci. 361, 265 - 268 (2016).

  87. Satish Shetty and S. M. Shivaprasad , Early stages of plasma induced nitridation of Si (111) surface and study of interfacial band alignment, J. Appl. Phys. 119, 055306 (2016).

  88. Sharvani S, K Upadhayaya, Gayatri Kumari, Gayatri Kumari and S.M. Shivaprasad, Nano-morphology induced additional surface plasmon resonance enhancement of SERS sensitivity in Ag/GaN nanowall network, Nanotechnology 26, 465701 (2016).

  89. Jiarul Midya and Subir K. Das, Kinetics of vapor-solid phase transitions: Structure, growth and mechanism,  (submitted), (2016).

  90. P. Sutar and T. K. Maji, Coordination polymer gels: soft metal-organic supramolecular materials and versatile applications, Chem. Commun. 52, 8055 - 8074 (2016).

  91. Ananya Banik, Badri Vishal, Suresh Perumal, Ranjan Datta and Kanishka Biswas, The origin of low thermal conductivity in Sn1-xSbxTe: phonon scattering via layered intergrowth nanostructures, Energy Environ. Sci. (2016). In Press.

  92. Leena Aggarwal, Ananya Banik, Shashwat Anand, Umesh V. Waghmare, Knaishka Biswas and Goutam Sheet, Local Ferroelectricity in Thermoelectric SnTe above Room Temperature Driven by Competing Phonon Instabilities and Soft Resonant Bonding, J. Materiomics (2016). In Press.

  93. Anirban Mondal and S. Balasubramanian, Understanding SO2 Capture by Ionic Liquids (Weblink), Journal of Physical Chemistry B 120, 4457 - 4466 (2016).

  94. A. Hazra, S. Bonakala, K. Bejagam, S. Balasubramanian and T. K. Maji, Host–Guest [2+2] Cycloaddition Reaction: Postsynthetic Modulation of CO2 Selectivity and Magnetic Properties in a Bimodal Metal–Organic Framework, Chem. Eur. J. 22, 7792 - 7799 (2016).

  95. K. Rajasekhar, N. Narayanaswamy, N. A. Murugan, G. Kuang, H. Ågren and T. Govindaraju, A high affinity red fluorescence and colorimetric probe for amyloid β aggregates , Sci. Rep 6, 23668 (2016). ,

     



  96. M. Pandeeswar and T. Govindaraju, Engineering molecular self-assembly of perylene diimide through pH-responsive chiroptical switching (Invited Article for the first issue)  , Mol. Syst. Des. Eng 1, 202 - 207 (2016). ,

     



  97. M. B. Avinash, K. Swathi, K. S. Narayan, and T. Govindaraju, Molecular architectonics of naphthalenediimides for efficient structure-property correlation, ACS Appl. Mater. Interfaces 8, 8678 - 8685 (2016). ,

     



  98. A. Achari and M. Eswaramoorthy, Casting molecular channels through domain formation: high performance graphene oxide membranes for H2/CO2 separation , J. Mater. Chem.A (2016). In Press.

  99. Benjamin Trefz, Subir K. Das, Sergei A. Egorov, Peter Virnau and Kurt Binder, Activity mediated phase separation: Can we understand phase behavior of the nonequilibrium problem from an equilibrium approach?, Journal of Chemical Physics 144, 144902 (2016).

  100. T. Pradeep, B. Raj, V. Ramgopal Rao, A. Kumar, B. R. Mehta, G. U. Kulkarni and et. al., Bridging innovations in academic institutions to society, Curr. Sci. 110, 482 - 486 (2016).

  101. K. Shanmugam, S. Singh and G. U. Kulkarni, Large Area Transparent ZnO Photodetectors with Au Wire Network Electrodes, RSC Adv. 6, 44668 (2016).

  102. V. Marakatti and S. C. Peter, Nickel-Antimony Nanoparticles Confined in SBA-15 as a Highly Efficient Catalyst for the Hydrogenation of Nitroarenes, New J. Chem. (2016). In Press.

  103. D. S. S. M. Uppu, M. M. Konai, U. Baul, P. Singh, T. K. Siersma, S. Samaddar, S. Vemperala, L.W. Hamoen, Chandrabhas Narayana and Jayanta Haldar, Isosteric Substitution in Cationic-amphiphilic Polymers Reveals an Important Role for Hydrogen Bonding in Bacterial Membrane Interactions, Chemical Science 7, 4613 - 4623 (2016).

  104. A Hazra, S. Bonakala, Karteek K. Bejagam, S. Balasubramanian and T. K. Maji, Host-Guest [2+2] Cycloaddition Reaction: Postsynthetic Modulation of CO2 Selectivity and Magnetic Properties in a Bimodal Metal-Organic Framework (Weblink), Chemistry A Europian Journal 22, 7792 - 7799 (2016).

  105. Manoj K. Jana, Koushik Pal, Umesh V. Wagmare and Kanishka Biswas, The Origin of Ultralow Thermal Conductivity in InTe: Lone-Pair Induced Anharmonic Rattling, Angew. Chem. Int. Ed (2016). In Press.

  106. Ananya Banik and Kanishka Biswas, AgI alloying in SnTe boosts the thermoelectric performance via simultaneous valence band convergence and carrier concentration optimizatio, J. Solid State Chem (2016). In Press.

  107. R. Haldar, M. Inukai, S. Horike, K. Uemura, S. Kitagawa and T. K. Maji, 113Cd NMR as a Probe of Structural Dynamics in a Flexible Porous Framework showing Selective O2/N2 and CO2/N2 Adsorption, Inorg. Chem. 55, 4166 - 4172 (2016).

  108. S. RoyChowdhury, Somnath Ghara, Satya N. Guin, A. Sundaresan and Kanishka Biswas, Large linear magnetoresistance in topological crystalline insulator Pb0.6Sn0.4Te, J. Solid State Chem. 233, 199 - 204 (2016).

  109. Rana Saha, A. Sundaresan, Milan K Sanyal, C. N. R. Rao, F. Orlandi, P. Manuel and S. Landgridge, Neutron scattering study of the crystallographic and spin structure in antiferromagnetic EuZrO3, Phys. Rev. B 93, 14409 - 14414 (2016).

  110. Dhanya Radhakrishnan and Chandrabhas Narayana, Guest dependent Brillouin and Raman scattering studies of Zeolitic Imidazolate Framework-8 (ZIF-8) under external pressure, Journal of Chemical Physics 144, 134704 (2016).

  111. Bradraj Pandey, Sudipta Dutta and Swapan K Pati, Breakdown of electron-pairs in presence of electric field of a superconducting ring, J. Phys. Cond. Matter 28, 195601 - 195607 (2016).

  112. Sisir Maity and M. Eswaramoorthy, Nickel-Palladium Bimetallic Catalysts for the Direct Synthesis of H2O2 - Unusual Enhancement of Pd Activity in Presence of Nickel, J. Mater. Chem.A (2016). In Press.

  113. A. Achari, S. Sahana and M. Eswaramoorthy, High performance MoS2 membranes: effects of thermally driven phase transition on CO2 separation efficiency, Energy & Environmental Science (2016). In Press.

  114. Swastika Banerjee, Siamkhanthang Neihsial and Swapan K Pati, First-principles Design of a Borocarbonitride based Anode for Superior Performance in Sodium-ion Battery and Capacitor, J. Mater. Chem. A 4, 5517 - 5527 (2016).

  115. Dibyajyoti Ghosh, Prakash Parida and Swapan K Pati, Spin-State Switching of Manganese Porphyrin by Conformational Modification, J. Phys. Chem. C 120, 3625 - 3634 (2016).

  116. K. Dileep, R. Sahu, Sumanta Sarkar, Sebastian C. Peter, and Ranjan Datta, Layer specific optical band gap measurement at nanoscale in MoS2 and ReS2 van der Waals compounds by high resolution electron energy loss spectroscopy, Journal of Applied Physics 119, 114309 (2016).

  117. B Loukya, DS Negi, R Sahu, N Pachauri, A Gupta, Ranjan Datta, Structural characterization of epitaxial LiFe5O8 thin films grown by chemical vapor deposition, Journal of Alloys and Compounds 668, 187 - 193 (2016).

  118. M Rana, PK Patil, M Chhetri, K Dileep, Ranjan Datta, UK Gautam, Pd–Pt alloys nanowires as support-less electrocatalyst with high synergistic enhancement in efficiency for methanol oxidation in acidic medium, Journal of Colloid and Interface Science 463, 099 - 106 (2016).

  119. R. Jana and S. C. Peter,  One-Pot Solvothermal Synthesis of Ordered Intermetallic Pt2In3 as Stable and Efficient Electrocatalyst Towards Direct Alcohol Fuel Cell Application, J. Solid State Chem (2016).

  120. K. Dileep, R. Sahu, S. Sarkar, S. C. Peter and R. Dutta, Layer specific optical band gap measurement at nanoscale in MoS2 and ReS2 van der Waals compounds by high resolution electron energy loss spectroscopy, J. Appl. Phys. 119, 114309 - 114314 (2016).

  121. S. Roy, S. Sarkar, J. Pan, U. V. Waghmare, R. Dhanya, C. Narayana and S. C. Peter, Crystal Structure and Band Gap Engineering in Polyoxometalate Based Inorganic-Organic Hybrids, Inorg. Chem 55, 3364 - 3377 (2016).

  122. N. Sikdar, S. Bonakala, R. Haldar, S. Balasubramanian and T. K. Maji, Dynamic Entangled Porous Framework for Hydrocarbon (C2-C3) Storage, CO2 Capture and Separation (Weblink), Chemistry A Europian Journal 22, 6059 - 6070 (2016).

  123. Soumyabrata Roy, Sumanta Sarkar, Jaysree Pan, Umesh V. Waghmare, Dhanya Radhakrishnan, Chandrabhas Narayana and Sebastian C. Peter, Crystal Structure and Band Gap Engineering in Polyoxometalate-Based Inorganic–Organic Hybrids  , Inorganic Chemistry 55 , 3364 - 3377 (2016).

  124. Soumik Siddhanta, Chao Zheng, Chandrabhas Narayana and Ishan Barman, An impediment to random walk: trehalose microenvironment drives preferential endocytic uptake of plasmonic nanoparticles, Chemical Science 7, 3730 - 3736 (2016).

  125. D. Karthigeyan, S. Surabhi, Pushpak Mizar, S. Soumik, Amrita Banerjee, Sarmistha H. Sinha, Dipak Dasgupta, Chandrabhas Narayana and Tapas K. Kundu, A Dual Non-ATP Analogue Inhibitor of Aurora Kinases A and B, Derived from Resorcinol with a Mixed Mode of Inhibition, Chemical Biology and Drug Design 87, 958 - 967 (2016).

  126. S. Manchineella, G. Thrivikraman, K. K. Khanum, P. C. Ramamurthy, B. Basu and T. Govindaraju , Pigmented Silk Nanofibrous Composite for Skeletal Muscle Tissue Engineering (Highlighted in ChemistryViews as Pigments in Tissue Engineering)  , Adv. Healthcare Mater. 05, 1222 - 1232 (2016). ,

     



  127. N. Sikdar, S. Bonakala, R. Haldar, S. Balasubramanian and T. K. Maji, Dynamic Entangled Porous Framework for Hydrocarbon (C2-C3) Storage, CO2 Capture and Separation, Chem. Eur. J. 22, 6059 - 6070 (2016).

  128. A. Kumar and G. U. Kulkarni, Evaluating conducting network based transparent electrodes from geometrical considerations, J. Appl. Phys. 119, 015102 (2016).

  129. Sachin R. Suryawanshi, Satya N. Guin, Arindom Chatterjee, Vikas Kashid, Mahendra A. More, Dattatray J. Late and Kanishka Biswas, Low frequency noise and photosensitive field emission from ultrathin PbBi2Se4 nanosheets, J. Mater. Chem. C 4, 1096 - 1103 (2016).

  130. Suresh Perumal, Subhajit Roychowdhury and Kanishka Biswas, Reduction of thermal conductivity through nanostructuring enhances the thermoelectric figure of merit in Ge1−xBixTe, Inorg. Chem. Front. 3, 125 - 132 (2016).

  131. Sumanta Sarkar, Rohan Borah, A.L. Santhosha, R. Dhanya, Chandrabhas Narayana, Aninda J. Bhattacharyya and Sebastian C. Peter, Heterostructure composites of rGO/GeO2/PANI with enhanced performance for Li ion battery anode material, Journal of Power Sources 306, 791 - 800 (2016).

  132. Gautam Chatterjee, Sundar Ram Sankaranarayanan, Krishnendu Guin, Yogitha Thattikota, Sreedevi Padmanabhan, Rahul Siddharthan and Kaustuv Sanyal^, Repeat-associated fission yeast-like regional centromeres in the ascomycetous budding yeast Candida tropicalis  , PLoS Genetics (2016). In Press.,

      ^corresponding author 



  133. N. Narayanaswamy, S. Narra, R. Nair, D. K. Saini, P. Kondaiah and T. Govindaraju, Stimuli-responsive colorimetric and NIR fluorescence combination probe for selective reporting of cellular hydrogen peroxide, Chem. Sci. 7, 2832 - 2841 (2016). ,

     



  134. A. Chakraborty, S. Bhattacharyya, A. Hazra, A. C. Ghosh and T. K. Maji, Post-synthetic metalation in an anionic MOF for efficient catalytic activity and removal of heavy metal ions from aqueous solution, Chem. Commun. 52, 2831 - 2834 (2016).

  135. S. Bonakala and S. Balasubramanian, Structure-Property Relationships in Amorphous Microporous Polymers (Weblink), Journal of Physical Chemistry B 120, 557 - 565 (2016).

  136. S. Sarkar, R. Borah, A. L. Santhosha, R. Dhanya, C. Narayana, A. Bhattacharyya and S. C. Peter, Heterostructure Composites of rGO/GeO2/PANI with Enhanced Performance for Li ion Battery Anode Material, J. Power Sources 306, 791 - 800 (2016).

  137. U. Subbarao, S. Rayaprol, R. Dally, M. Graf and S. C. Peter, Swinging Symmetry, Multiple Structural Phase Transitions and Versatile Physical Properties in RECuGa3 (RE = La-Nd, Sm-Gd), Inorg. Chem 666 - 675 (2016).

  138. S. Roy, V. M. Suresh and T. K. Maji, Self-cleaning MOF: Realization of Extreme Water Repellence in Coordination Driven Self-Assembled Nanostructures, Chem. Sci. 7, 2251 - 2256 (2016).

  139. Anirban Mondal, Anurag P. Sunda and S. Balasubramanian, Thermal Phase Behavior and Ion Hopping in 1,2,4-Triazolium Perfluorobutanesulfonate Protic Organic Ionic Plastic Crystal (Weblink), Physical Chemistry Chemical Physics 18, 2047 - 2053 (2016).

  140. Dheeraj Kumar Singh, SaiKrishna K, S. Harish , S. Sampath and M. Eswaramoorthy , No More HF: Teflon Assisted Ultrafast Removal of Silica to Generate High Surface Area Mesostructured Carbon for Enhanced CO2 Capture and Supercapacitor Performance , Angew. Chem. Int. Ed. 55, 2032 - 2036 (2016).

  141. Ritesh Haldar, Komal Prasad, Pralok K. Samanta, Swapan K. Pati, and Tapas Kumar Maji, Luminescent Metal-Organic Complexes of Pyrene or Anthracene Chromophores: Energy Transfer Assisted Amplified Exciplex Emission and Al3+ Sensing, Cryst. Growth Des. 16, 82 - 91 (2016).

  142. R. Haldar, K. Prasad, P. Samanta, S. K. Pati and T. K. Maji, Luminescent Metal-Organic Complexes of Pyrene or Anthracene Chromophores: Energy Transfer Assisted Amplified Exciplex Emission and Al3+ Sensing, Cryst. Growth Des. 16, 82 - 91 (2016).

  143. K. V. Rao, R. Haldar, T. K. Maji and S. J. George, Dynamic Conjugated Microporous Polymers: Visible Light Harvesting via Guest Responsive Reversible Swelling, Phys. Chem. Chem. Phys. 18, 156 - 163 (2016).

  144. K. D. M. Rao, A. A. Sagade, R. John, T. Pradeep and G. U. Kulkarni, Defining switching efficiency of multi-level resistive memory with PdO as example, Adv. Elec. Mater. 2, (2016).

  145. Y. A. Sorb, V. Rajaji, P. Malavi, U. Subbarao, P. Halappa, S. Karmakar, Sebastian C. Peter and Chandrabhas Narayana, Pressure induced electronic topological transition in Sb2S3, Journal of Physics: Condense Matter 28, 015602 (2016).

  146. Y. Sorb, V. Rajaji, P. Malavi, U. Subbarao, P. Halappa, S. Karmakar, S. C. Peter and C. Narayana, Pressure induced electronic topological transition in Sb2S3, J. Phys. Condens. Matter 28 , 015602 - 015608 (2016).

  147. Sreyoshi Mitra, Laxmi Shanker Rai, Gautam Chatterjee and Kaustuv Sanyal^,  Chromatin immunoprecipitation (ChIP) assay in Candida albicans, Methods in Molecular Biology 1356, 43 - 57 (2016). ,

      ^ corresponding author



  148. Subhajit Roychowdhury, Somnath Ghara, Satya N. Guin, A. Sundaresan and Kanishka Biswas, Large linear magnetoresistance in topological crystalline insulator Pb0.6Sn0.4Te, J. Solid State Chem 233, 199 - 204 (2016).

  149. U. Subbarao, S. Sarkar and B. Joseph, Magnetic and X-ray Absorption Studies on the RE5X2Sb6 (RE = Eu, Yb; X = Al, Ga, In) Compounds, J. Alloys Compd. 658, 395 - 401 (2016).

  150. H. Dicko, O. Pagès, R. Hajj Hussein, G. K. Pradhan, Chandrabhas Narayana, F. Firszt, A. Marasek, W. Paszkowicz, A. Maillard, C. Jobard, L. Broch and F. El Hajj Hassan, Near-forward/high-pressure-backward Raman study of Zn1 − xBexSe (x ~ 0.5) – evidence for percolation behavior of the long (Zn―Se) bond, Journal of Raman Spectroscopy 47, 357 - 367 (2016).

  151. D. Mumbaraddi, S. Sarkar and S. C. Peter, A Review on the Synthesis, Crystal Growth, Structure and Physical Properties of Rare Earth based Quaternary Intermetallic Compounds, J. Solid State Chem 236, 094 - 115 (2016).

  152. Satya N. Guin, Dirtha Sanyal and Kanishka Biswas, Effect of Order-Disorder Phase Transition and Band Gap Evolution on the Thermoelectric Properties of AgCuS Nanocrystals, Chemical Science 7, 534 - 543 (2016).

  153. Saikat Chakraborty and Subir K. Das, Fractality in persistence decay and domain growth during ferromagnetic ordering: Dependence upon initial correlation, Physical Review E 93, 032139 (2016).

  154. Tarak Karmakar, S. Roy, H. Balaram, S. Balasubramanian, Structural and Dynamical Correlations in PfHGXPRT Oligomers: A Molecular Dynamics Simulation Study, J. Biomol. Struct. Dyn. 34, 1590 - 1605 (2016).

  155. Gayatri Kumari, N. R. Patil, Venkat Srinu Bhadram, Ritesh Haldar, Satyanarayana Bonakala, Tapas Kumar Maji and Chandrabhas Narayana, Understanding guest and pressure induced porosity through structural transition in flexible interpenetrated MOF by Raman spectroscopy, Journal of Raman Spectroscopy 149 - 155 (2016).

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