| Year |
Citation |
Score |
| 2023 |
Das S, Pal AK, Datta A. Pressure Induced Alteration and Stabilization of Intermolecular Stacking in Square-planar Osmium tetracarbonyl. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. e202300720. PMID 38087878 DOI: 10.1002/cphc.202300720 |
0.625 |
|
| 2023 |
Dey S, Pal AK, Upadhyay M, Datta A, Ray D. Modulation of Delayed Fluorescence Guided by Conformational Effect-Mediated Thermally Enhanced Phosphorescence in Phenothiazines-Quinoline-Cl Conjugates. The Journal of Physical Chemistry. B. PMID 37913786 DOI: 10.1021/acs.jpcb.3c06274 |
0.624 |
|
| 2023 |
Sarkar P, Sarkar S, Nayek A, Adarsh NN, Pal AK, Datta A, Dey A, Ghosh P. Low Potential CO Reduction by Inert Fe(II)-Macrobicyclic Complex: A New Concept of Cavity Assisted CO Activation. Small (Weinheim An Der Bergstrasse, Germany). e2304794. PMID 37888827 DOI: 10.1002/smll.202304794 |
0.582 |
|
| 2023 |
Mondal S, Tanari P, Roy S, Bhunia S, Chowdhury R, Pal AK, Datta A, Pal B, Reddy CM. Autonomous self-healing organic crystals for nonlinear optics. Nature Communications. 14: 6589. PMID 37852998 DOI: 10.1038/s41467-023-42131-7 |
0.574 |
|
| 2023 |
Banerjee T, Dan K, Pal AK, Bej R, Datta A, Ghosh S. Redox-Triggered Activation of Heavy-Atom-Free Photosensitizer and Implications in Targeted Photodynamic Therapy. Acs Macro Letters. 928-934. PMID 37378476 DOI: 10.1021/acsmacrolett.3c00249 |
0.594 |
|
| 2023 |
Maman MP, Gurusamy T, Pal AK, Jana R, Ramanujam K, Datta A, Mandal S. Electrocatalytic Reduction of Nitrogen to Ammonia Using Tiara-like Phenylethanethiolated Nickel Cluster. Angewandte Chemie (International Ed. in English). e202305462. PMID 37129995 DOI: 10.1002/anie.202305462 |
0.608 |
|
| 2022 |
Bansal D, Kundu A, Singh VP, Pal AK, Datta A, Dasgupta J, Mukhopadhyay P. A highly contorted push-pull naphthalenediimide dimer and evidence of intramolecular singlet exciton fission. Chemical Science. 13: 11506-11512. PMID 36320404 DOI: 10.1039/d2sc04187a |
0.624 |
|
| 2022 |
Mondal P, Pal R, Pal AK, Das S, Misra A, Datta A. Understanding the Regioselectivity of Ion-Pair-Assisted Meta-Selective C(sp)-H Activation in Conformationally Flexible Arylammonium Salts. The Journal of Organic Chemistry. PMID 35771188 DOI: 10.1021/acs.joc.2c00957 |
0.624 |
|
| 2021 |
Mandal S, Pal AK, Mandal N, Mukhopadhyay TK, Datta A. Harnessing Noncovalent Interactions for a Directed Evolution of a Six-Component Molecular Crystal. The Journal of Physical Chemistry. B. PMID 34738459 DOI: 10.1021/acs.jpcb.1c06341 |
0.632 |
|
| 2021 |
Biswas S, Manna G, Das B, Bhattacharya A, Pal AK, Datta A, Alam P, Laskar IR, Mondal P, Mukhopadhyay MK, Sanyal MK, Acharya S. Origin of Intense Luminescence from Supramolecular 2D Molecular Crystals. Small (Weinheim An Der Bergstrasse, Germany). e2103212. PMID 34622549 DOI: 10.1002/smll.202103212 |
0.603 |
|
| 2021 |
Gayen K, Hazra S, Pal AK, Paul S, Datta A, Banerjee A. Tuning of the optoelectronic properties of peptide-appended core-substituted naphthalenediimides: the role of self-assembly of two positional isomers. Soft Matter. PMID 34263281 DOI: 10.1039/d1sm00752a |
0.601 |
|
| 2021 |
Jana R, Datta A, Malik S. Tuning intermediate adsorption in structurally ordered substituted PdCu intermetallic nanoparticles for enhanced ethanol oxidation reaction. Chemical Communications (Cambridge, England). 57: 4508-4511. PMID 33955976 DOI: 10.1039/d0cc08075f |
0.562 |
|
| 2020 |
Pal AK, Bhattacharyya K, Datta A. Polymorphism Dependent 9-Phosphoanthracene Derivative Exhibiting Thermally Activated Delayed Fluorescence: A Computational Investigation. The Journal of Physical Chemistry. A. PMID 33332131 DOI: 10.1021/acs.jpca.0c10203 |
0.611 |
|
| 2020 |
Roy M, Pal AK, Adhikary A, Datta A, Mondal R. Paradoxical design of a serendipitous pyrazolate bridging mode: a pragmatic strategy for inducing ineluctable ferromagnetic coupling. Dalton Transactions (Cambridge, England : 2003). PMID 32996512 DOI: 10.1039/D0Dt02468F |
0.642 |
|
| 2020 |
Mukhopadhyay TK, Datta A. Delicate Balance of Non-Covalent Forces Govern the Biocompatibility of Graphitic Carbon Nitride towards Genetic Materials. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 32497345 DOI: 10.1002/Cphc.202000385 |
0.317 |
|
| 2020 |
Mandal N, Pal AK, Gain P, Zohaib A, Datta A. Transition-State like Planar Structures for Amine Inversion with Ultralong C─C Bonds in Diamino-o-carborane and Diamino-o-dodecahedron. Journal of the American Chemical Society. PMID 32090580 DOI: 10.1021/Jacs.0C00181 |
0.657 |
|
| 2019 |
Pal AK, Bhattacharyya K, Datta A. Remote Functionalization through Symmetric or Asymmetric Substitutions Control the Pathway of Intermolecular Singlet Fission. Journal of Chemical Theory and Computation. PMID 31404494 DOI: 10.1021/Acs.Jctc.9B00419 |
0.65 |
|
| 2019 |
Bhattacharyya K, Datta A. Visible light driven efficient metal free single atom catalyst supported on nanoporous carbon nitride for nitrogen fixation. Physical Chemistry Chemical Physics : Pccp. PMID 31140497 DOI: 10.1039/C9Cp00997C |
0.33 |
|
| 2019 |
George A, Maman MP, Bhattacharyya K, Das Chakraborty S, S A, Das BC, Senapati D, Datta A, Mandal S. Aggregation induced non-emissive-to-emissive switching of molecular platinum clusters. Nanoscale. PMID 30892370 DOI: 10.1039/C9Nr00979E |
0.329 |
|
| 2019 |
Bhattacharjee R, Majumder T, Datta A. Analysis of pseudo jahn-teller distortion based on natural bond orbital theory: Case study for silicene. Journal of Computational Chemistry. PMID 30854679 DOI: 10.1002/Jcc.25815 |
0.361 |
|
| 2019 |
Chandra Sau S, Bhattacharjee R, Hota PK, Vardhanapu PK, Vijaykumar G, Govindarajan R, Datta A, Mandal SK. Transforming atmospheric CO into alternative fuels: a metal-free approach under ambient conditions. Chemical Science. 10: 1879-1884. PMID 30842857 DOI: 10.1039/C8Sc03581D |
0.34 |
|
| 2019 |
Chakraborty S, Maji S, Ghosh R, Jana R, Datta A, Ghosh P. Aryl-platform-based tetrapodal 2-iodo-imidazolium as an excellent halogen bond receptor in aqueous medium. Chemical Communications (Cambridge, England). PMID 30648173 DOI: 10.1039/C8Cc09937E |
0.329 |
|
| 2019 |
Jana R, Chowdhury C, Malik S, Datta A. Pt/Co3O4 Surpasses Benchmark Pt/C: An Approach Toward Next Generation Hydrogen Evolution Electrocatalyst Acs Applied Energy Materials. 2: 5613-5621. DOI: 10.1021/ACSAEM.9B00787 |
0.547 |
|
| 2019 |
Bhattacharyya K, Datta A. Computationally Driven Design Principles for Singlet Fission in Organic Chromophores The Journal of Physical Chemistry C. 123: 19257-19268. DOI: 10.1021/Acs.Jpcc.8B11039 |
0.358 |
|
| 2019 |
Mandal S, Mukhopadhyay TK, Mandal N, Datta A. Hierarchical Noncovalent Interactions between Molecules Stabilize Multicomponent Cocrystals Crystal Growth & Design. 19: 4802-4809. DOI: 10.1021/Acs.Cgd.9B00702 |
0.387 |
|
| 2018 |
Rath SP, Sengupta D, Ghosh P, Bhattacharjee R, Chakraborty M, Samanta S, Datta A, Goswami S. Effects of Ancillary Ligands on Redox and Chemical Properties of Ruthenium Coordinated Azoaromatic Pincer. Inorganic Chemistry. PMID 30207466 DOI: 10.1021/Acs.Inorgchem.8B01558 |
0.347 |
|
| 2018 |
Bhattacharjee R, Datta A. Understanding Thermal and Photochemical Aryl-Aryl Cross-Coupling by the Au(I)-AuIII) Redox Couple. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 29979474 DOI: 10.1002/Chem.201802634 |
0.317 |
|
| 2018 |
Pramanick R, Bhattacharjee R, Sengupta D, Datta A, Goswami S. An Azoaromatic Ligand as Four Electron Four Proton Reservoir: Catalytic Dehydrogenation of Alcohols by Its Zinc(II) Complex. Inorganic Chemistry. PMID 29863859 DOI: 10.1021/Acs.Inorgchem.8B00034 |
0.309 |
|
| 2018 |
Mukhopadhyay TK, Bhattacharyya K, Datta A. Gauging the nanotoxicity of h2D-C2N towards Single Stranded DNA: An in - silico Molecular Simulation Approach. Acs Applied Materials & Interfaces. PMID 29611415 DOI: 10.1021/Acsami.8B00494 |
0.303 |
|
| 2018 |
Saha S, Majhi D, Bhattacharyya K, Preeyanka N, Datta A, Sarkar M. Evidence of homo-FRET in quantum dot-dye heterostructured assembly. Physical Chemistry Chemical Physics : Pccp. PMID 29570192 DOI: 10.1039/C7Cp07233C |
0.316 |
|
| 2018 |
Mukhopadhyay TK, Datta A. Design Rules for the Generation of Stable Quartet Phases of Nucleobases over Two-Dimensional Materials The Journal of Physical Chemistry C. 122: 28918-28933. DOI: 10.1021/Acs.Jpcc.8B08839 |
0.346 |
|
| 2018 |
Karmakar S, Chowdhury C, Datta A. Noble-Metal-Supported GeS Monolayer as Promising Single-Atom Catalyst for CO Oxidation The Journal of Physical Chemistry C. 122: 14488-14498. DOI: 10.1021/Acs.Jpcc.8B02442 |
0.303 |
|
| 2018 |
Bhattacharyya K, Pratik SM, Datta A. Controlled Pore Sizes in Monolayer C2N Act as Ultrasensitive Probes for Detection of Gaseous Pollutants (HF, HCN, and H2S) The Journal of Physical Chemistry C. 122: 2248-2258. DOI: 10.1021/Acs.Jpcc.7B11963 |
0.361 |
|
| 2018 |
Ghosh M, Datta A. Pseudo-Jahn–Teller effects in two-dimensional silicene, germanene and stanene: a crystal orbital vibronic coupling density analysis Bulletin of Materials Science. 41. DOI: 10.1007/S12034-018-1634-Y |
0.339 |
|
| 2017 |
Datta A, Jahiruddin S, Mandal N. Structure and Electronic Properties of Unnatural Base Pairs: Role of Dispersion Interactions. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 29139595 DOI: 10.1002/Cphc.201700997 |
0.344 |
|
| 2017 |
Ghosh R, Chatterjee DP, Das S, Mukhopadhyay TK, Datta A, Nandi AK. Influence of Hofmeister I- on Tuning Optoelectronic Properties of Ampholytic Polythiophene by varying pH and Conjugating with RNA. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 29028346 DOI: 10.1021/Acs.Langmuir.7B03147 |
0.506 |
|
| 2017 |
Saha B, Pratik SM, Datta A. Coexistence of Normal and Auxetic Behavior in Thermally and Chemically Stable sp3-nanothread: Poly[5]asterane. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 28683158 DOI: 10.1002/Chem.201702775 |
0.317 |
|
| 2017 |
Bhattacharyya K, Datta A. Visible Light Mediated Excited State Relaxation in Semi-Synthetic Genetic Alphabet: d5SICS and dNaM. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 28675549 DOI: 10.1002/Chem.201702583 |
0.306 |
|
| 2017 |
Chowdhury C, Datta A. Exotic Physics and Chemistry of Two Dimensional Phosphorus - Phosphorene. The Journal of Physical Chemistry Letters. PMID 28598171 DOI: 10.1021/Acs.Jpclett.7B01290 |
0.303 |
|
| 2017 |
Mandal N, Pratik SM, Datta A. Exploring Ultrashort Hydrogen-Hydrogen Non-Bonded Contacts in Constrained Molecular Cavities. The Journal of Physical Chemistry. B. PMID 28055206 DOI: 10.1021/Acs.Jpcb.6B12391 |
0.331 |
|
| 2017 |
Bhattacharjee R, Datta A. Role of Carbon Support for Subnanometer Gold-Cluster-Catalyzed Disiloxane Synthesis from Hydrosilane and Water The Journal of Physical Chemistry C. 121: 20101-20112. DOI: 10.1021/Acs.Jpcc.7B04419 |
0.331 |
|
| 2017 |
Mukhopadhyay TK, Datta A. Ordering and Dynamics for the Formation of Two-Dimensional Molecular Crystals on Black Phosphorene The Journal of Physical Chemistry C. 121: 10210-10223. DOI: 10.1021/Acs.Jpcc.7B02480 |
0.324 |
|
| 2017 |
Chowdhury C, Karmakar S, Datta A. Monolayer Group IV–VI Monochalcogenides: Low-Dimensional Materials for Photocatalytic Water Splitting The Journal of Physical Chemistry C. 121: 7615-7624. DOI: 10.1021/Acs.Jpcc.6B12080 |
0.314 |
|
| 2017 |
Pratik SM, Nijamudheen A, Datta A. Design of van der Waals Two-Dimensional Heterostructures from Facially Polarized Janus All-Cis 1,2,3,4,5,6-Hexafluorocyclohexane (C6H6F6) The Journal of Physical Chemistry C. 121: 1752-1762. DOI: 10.1021/Acs.Jpcc.6B11521 |
0.353 |
|
| 2017 |
Bhattacharyya K, Datta A. Polymorphism Controlled Singlet Fission in TIPS-Anthracene: Role of Stacking Orientation The Journal of Physical Chemistry C. 121: 1412-1420. DOI: 10.1021/Acs.Jpcc.6B10075 |
0.356 |
|
| 2017 |
Patra SG, Mandal N, Datta A, Datta D. On bonding in bis(dimethylglyoximato)nickel(II) Computational and Theoretical Chemistry. 1114: 118-124. DOI: 10.1016/J.Comptc.2017.05.022 |
0.374 |
|
| 2017 |
De H, Paul A, Datta A. Theoretical study of Au 4 thymine, Au 20 and Ag 20 uracil and thymine complexes for surface enhanced Raman scattering Computational and Theoretical Chemistry. 1111: 1-13. DOI: 10.1016/J.Comptc.2017.03.017 |
0.301 |
|
| 2016 |
Bhattacharyya K, Surendran A, Chowdhury C, Datta A. Steric and electric field driven distortions in aromatic molecules: spontaneous and non-spontaneous symmetry breaking. Physical Chemistry Chemical Physics : Pccp. PMID 27819086 DOI: 10.1039/C6Cp05237A |
0.351 |
|
| 2016 |
Pratik SM, Datta A. Non-Equimolar Mixture of Organic Acids and Bases: An Exception to the Rule of Thumb for Salt or Cocrystal. The Journal of Physical Chemistry. B. PMID 27400140 DOI: 10.1021/Acs.Jpcb.6B05830 |
0.35 |
|
| 2016 |
Bhattacharyya K, Mukhopadhyay TK, Datta A. Controlling electronic effects and intermolecular packing in contorted polyaromatic hydrocarbons (c-PAHs): towards high mobility field effect transistors. Physical Chemistry Chemical Physics : Pccp. 18: 14886-93. PMID 27189183 DOI: 10.1039/C6Cp02387H |
0.362 |
|
| 2016 |
Pratik SM, Nijamudheen A, Datta A. Janus all-cis 1,2,3,4,5,6-hexafluorocyclohexane: A Molecular Motif for Aggregation Induced Enhanced Polarization. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 27124861 DOI: 10.1002/Cphc.201600262 |
0.386 |
|
| 2016 |
Chatterjee T, Mandal M, Das A, Bhattacharyya K, Datta A, Mandal PK. Dual Fluorescence in GFP Chromophore Analogues: Chemical Modulation of Charge Transfer and Proton Transfer Bands. The Journal of Physical Chemistry. B. PMID 26998908 DOI: 10.1021/Acs.Jpcb.6B01993 |
0.323 |
|
| 2016 |
Chowdhury C, Jahiruddin S, Datta A. Psuedo Jahn - Teller Distortion in Two-Dimensional Phosphorus: Origin of Black and Blue Phases of Phosphorene and Band Gap Modulation by Molecular Charge Transfer. The Journal of Physical Chemistry Letters. PMID 26987273 DOI: 10.1021/Acs.Jpclett.6B00219 |
0.325 |
|
| 2016 |
Karmakar S, Datta A. Role of Heavy Atom Tunneling in Myers-Saito Cyclization of Cyclic Enyne - Cumulene Systems. The Journal of Physical Chemistry. B. PMID 26785136 DOI: 10.1021/Acs.Jpcb.5B12465 |
0.321 |
|
| 2016 |
Bhattacharya B, Maity DK, Layek A, Jahiruddin S, Halder A, Dey A, Ghosh S, Chowdhury C, Datta A, Ray PP, Ghoshal D. Multifunctional mixed ligand metal organic frameworks: X-ray structure, adsorption, luminescence and electrical conductivity with theoretical correlation Crystengcomm. 18: 5754-5763. DOI: 10.1039/C6Ce01173J |
0.354 |
|
| 2016 |
Mukhopadhyay TK, Datta A. Deciphering the Role of Solvents in the Liquid Phase Exfoliation of Hexagonal Boron Nitride: A Molecular Dynamics Simulation Study The Journal of Physical Chemistry C. 121: 811-822. DOI: 10.1021/Acs.Jpcc.6B09446 |
0.308 |
|
| 2016 |
Bhattacharjee R, Datta A. Supported Sub-Nanometer Gold Cluster Catalyzed Transfer Hydrogenation of Aldehydes to Alcohols The Journal of Physical Chemistry C. 120: 24449-24456. DOI: 10.1021/Acs.Jpcc.6B07520 |
0.351 |
|
| 2015 |
Pratik SM, Nijamudheen A, Datta A. Topochemical Transformations of CaX2 (X=C, Si, Ge) to Form Free-Standing Two-Dimensional Materials. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 26542487 DOI: 10.1002/Chem.201503375 |
0.307 |
|
| 2015 |
Basak S, Nandi N, Bhattacharyya K, Datta A, Banerjee A. Fluorescence from an H-aggregated naphthalenediimide based peptide: photophysical and computational investigation of this rare phenomenon. Physical Chemistry Chemical Physics : Pccp. PMID 26508537 DOI: 10.1039/C5Cp05236J |
0.608 |
|
| 2015 |
Halder A, Bhattacharya S, Datta A, Bhattacharyya D, Mitra A. The role of N7 protonation of guanine in determining the structure, stability and function of RNA base pairs. Physical Chemistry Chemical Physics : Pccp. 17: 26249-63. PMID 26382322 DOI: 10.1039/C5Cp04894J |
0.334 |
|
| 2015 |
Karmakar S, Datta A. Metal Free Azide-Alkyne Click Reaction: Role of Substituents and Heavy Atom Tunneling. The Journal of Physical Chemistry. B. 119: 11540-7. PMID 26264958 DOI: 10.1021/Acs.Jpcb.5B05758 |
0.336 |
|
| 2015 |
Bhattacharjee R, Nijamudheen A, Datta A. Mechanistic insights into the synergistic catalysis by Au(I), Ga(III), and counterions in the Nakamura reaction. Organic & Biomolecular Chemistry. 13: 7412-20. PMID 25978026 DOI: 10.1039/C5Ob00626K |
0.348 |
|
| 2015 |
Jahiruddin S, Datta A. What sustains the unnatural base pairs (UBPs) with no hydrogen bonds. The Journal of Physical Chemistry. B. 119: 5839-45. PMID 25893481 DOI: 10.1021/Acs.Jpcb.5B03293 |
0.376 |
|
| 2015 |
Mary Sheeba M, Preethi S, Nijamudheen A, Muthu Tamizh M, Datta A, Farrugia LJ, Karvembu R. Half-sandwich Ru(η6-C6H6) complexes with chiral aroylthioureas for enhanced asymmetric transfer hydrogenation of ketones-experimental and theoretical studies Catalysis Science and Technology. 5: 4790-4799. DOI: 10.1039/C5Cy00774G |
0.333 |
|
| 2015 |
Nijamudheen A, Bhattacharjee R, Choudhury S, Datta A. Electronic and Chemical Properties of Germanene: The Crucial Role of Buckling The Journal of Physical Chemistry C. 119: 3802-3809. DOI: 10.1021/Jp511488M |
0.358 |
|
| 2015 |
Pratik SM, Chakraborty S, Mandal S, Datta A. Cooperativity in a new role: Stabilization of the ammonium salts in the solid state over their H-bonded complexes in the gas phase Journal of Physical Chemistry C. 119: 926-933. DOI: 10.1021/Jp510479N |
0.313 |
|
| 2015 |
Bhattacharyya K, Pratik SM, Datta A. Small Organic Molecules for Efficient Singlet Fission: Role of Silicon Substitution Journal of Physical Chemistry C. 119: 25696-25702. DOI: 10.1021/Acs.Jpcc.5B06960 |
0.377 |
|
| 2015 |
Pratik SM, Datta A. 1,4-Dithiine - Puckered in the Gas Phase but Planar in Crystals: Role of Cooperativity Journal of Physical Chemistry C. 119: 15770-15776. DOI: 10.1021/Acs.Jpcc.5B04908 |
0.309 |
|
| 2015 |
Pratik SM, Chowdhury C, Bhattacharjee R, Jahiruddin S, Datta A. Pseudo Jahn-Teller distortion for a tricyclic carbon sulfide (C6S8) and its suppression in S-oxygenated dithiine (C4H4(SO2)2) Chemical Physics. 460: 101-105. DOI: 10.1016/J.Chemphys.2015.04.009 |
0.37 |
|
| 2014 |
Jissy AK, Datta A. Design and Applications of Noncanonical DNA Base Pairs. The Journal of Physical Chemistry Letters. 5: 154-66. PMID 26276196 DOI: 10.1021/Jz402352D |
0.336 |
|
| 2014 |
Nijamudheen A, Karmakar S, Datta A. Understanding the mechanisms of unusually fast H-H, C-H, and C-C bond reductive eliminations from gold(III) complexes. Chemistry (Weinheim An Der Bergstrasse, Germany). 20: 14650-8. PMID 25224135 DOI: 10.1002/Chem.201403867 |
0.365 |
|
| 2014 |
Karmakar S, Datta A. Tunneling assists the 1,2-hydrogen shift in N-heterocyclic carbenes. Angewandte Chemie (International Ed. in English). 53: 9587-91. PMID 25044956 DOI: 10.1002/Anie.201404368 |
0.336 |
|
| 2014 |
Halder A, Datta A, Bhattacharyya D, Mitra A. Why does substitution of thymine by 6-ethynylpyridone increase the thermostability of DNA double helices? The Journal of Physical Chemistry. B. 118: 6586-96. PMID 24857638 DOI: 10.1021/Jp412416P |
0.368 |
|
| 2014 |
Basak S, Bhattacharya S, Datta A, Banerjee A. Charge-transfer complex formation in gelation: the role of solvent molecules with different electron-donating capacities. Chemistry (Weinheim An Der Bergstrasse, Germany). 20: 5721-6. PMID 24677404 DOI: 10.1002/Chem.201303889 |
0.326 |
|
| 2014 |
Sukul PK, Datta A, Malik S. Light harvesting and amplification of emission of donor perylene–acceptor perylene aggregates in aqueous medium. Chemistry (Weinheim An Der Bergstrasse, Germany). 20: 3019-22. PMID 24677252 DOI: 10.1002/Chem.201304431 |
0.754 |
|
| 2014 |
Pratik SM, Nijamudheen A, Bhattacharya S, Datta A. Color polymorphism: understanding the diverse solid-state packing and color in dimethyl-3,6-dichloro-2,5-dihydroxyterephthalate. Chemistry (Weinheim An Der Bergstrasse, Germany). 20: 3218-24. PMID 24532351 DOI: 10.1002/Chem.201303322 |
0.353 |
|
| 2014 |
Karmakar S, Datta A. Role of quantum mechanical tunneling on the γ-effect of silicon on carbenes in 3-trimethylsilylcyclobutylidene. The Journal of Physical Chemistry. B. 118: 2553-8. PMID 24467461 DOI: 10.1021/Jp4116029 |
0.328 |
|
| 2014 |
Jose D, Datta A. Structures and chemical properties of silicene: unlike graphene. Accounts of Chemical Research. 47: 593-602. PMID 24215179 DOI: 10.1021/Ar400180E |
0.309 |
|
| 2014 |
Mandal TK, Jose D, Nijamudheen A, Datta A. Structures and electronic properties of heavier congeners of disk-like molecules: (Si, Ge) sulflower and (Si, Ge) olympicene Journal of Physical Chemistry C. 118: 12115-12120. DOI: 10.1021/Jp501954M |
0.335 |
|
| 2014 |
Raha Roy S, Nijamudheen A, Pariyar A, Ghosh A, Vardhanapu PK, Mandal PK, Datta A, Mandal SK. Phenalenyl in a different role: Catalytic activation through the nonbonding molecular orbital Acs Catalysis. 4: 4307-4319. DOI: 10.1021/Cs5010695 |
0.31 |
|
| 2014 |
Nijamudheen A, Karmakar S, Datta A. Inside Cover: Understanding the Mechanisms of Unusually Fast HH, CH, and CC Bond Reductive Eliminations from Gold(III) Complexes (Chem. Eur. J. 45/2014) Chemistry - a European Journal. 20: 14534-14534. DOI: 10.1002/Chem.201490187 |
0.324 |
|
| 2013 |
Jissy AK, Datta A. What Stabilizes the LinPn Inorganic Double Helices? The Journal of Physical Chemistry Letters. 4: 1018-22. PMID 26291370 DOI: 10.1021/Jz400263Y |
0.342 |
|
| 2013 |
Pratik SM, Datta A. Computational design of concomitant type-I and type-II porphyrin sensitized solar cells. Physical Chemistry Chemical Physics : Pccp. 15: 18471-81. PMID 24072063 DOI: 10.1039/C3Cp53193G |
0.352 |
|
| 2013 |
Jissy AK, Datta A. Can arsenates replace phosphates in natural biochemical processes? A computational study. The Journal of Physical Chemistry. B. 117: 8340-6. PMID 23789648 DOI: 10.1021/Jp402917Q |
0.356 |
|
| 2013 |
Jissy AK, Konar S, Datta A. Molecular switching behavior in isosteric DNA base pairs. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 14: 1219-26. PMID 23564743 DOI: 10.1002/Cphc.201201083 |
0.315 |
|
| 2013 |
Mandal TK, Samanta S, Chakraborty S, Datta A. An interplay of cooperativity between cationâ‹…â‹…â‹…Ï€, anionâ‹…â‹…â‹…Ï€ and C-Hâ‹…â‹…â‹…anion interactions. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 14: 1149-54. PMID 23512280 DOI: 10.1002/Cphc.201300128 |
0.344 |
|
| 2013 |
Nijamudheen A, Datta A. Pattern formation due to fluorination on graphene fragments: structures, hopping behavior, and magnetic properties. The Journal of Physical Chemistry. A. 117: 8506-11. PMID 23343166 DOI: 10.1021/Jp3122165 |
0.304 |
|
| 2013 |
Jissy AK, Meena SK, Datta A. Reactivity of germanones: far removed from ketones – a computational study Rsc Advances. 3: 24321. DOI: 10.1039/C3Ra44352C |
0.319 |
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| 2013 |
Nijamudheen A, Datta A. Mechanism for C–I Bond Dissociation in Iodoethane, Iodobenzene, and Iodoethene for the C–C Cross Coupling Reactions over Gold Clusters The Journal of Physical Chemistry C. 117: 21433-21440. DOI: 10.1021/Jp407927Q |
0.338 |
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| 2012 |
Nijamudheen A, Jose D, Shine A, Datta A. Molecular Balances Based on Aliphatic CH-π and Lone-Pair-π Interactions. The Journal of Physical Chemistry Letters. 3: 1493-6. PMID 26285627 DOI: 10.1021/Jz300473V |
0.348 |
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| 2012 |
Jissy AK, Datta A. Effect of external electric field on H-bonding and π-stacking interactions in guanine aggregates. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 13: 4163-72. PMID 23065813 DOI: 10.1002/Cphc.201200690 |
0.308 |
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| 2012 |
Jose D, Datta A. Tunneling governs intramolecular proton transfer in thiotropolone at room temperature. Angewandte Chemie (International Ed. in English). 51: 9389-92. PMID 22893504 DOI: 10.1002/Anie.201203355 |
0.376 |
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| 2012 |
Patil NT, Nijamudheen A, Datta A. Aminoindolines versus quinolines: mechanistic insights into the reaction between 2-aminobenzaldehydes and terminal alkynes in the presence of metals and secondary amines. The Journal of Organic Chemistry. 77: 6179-85. PMID 22780441 DOI: 10.1021/Jo300949D |
0.301 |
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| 2012 |
Gopikrishnan CR, Jose D, Datta A. Electronic structure, lattice energies and Born exponents for alkali halides from first principles Aip Advances. 2: 012131. DOI: 10.1063/1.3684608 |
0.362 |
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| 2012 |
Jose D, Datta A. Understanding of the Buckling Distortions in Silicene The Journal of Physical Chemistry C. 116: 24639-24648. DOI: 10.1021/Jp3084716 |
0.369 |
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| 2011 |
Jose D, Datta A. Structures and electronic properties of silicene clusters: a promising material for FET and hydrogen storage. Physical Chemistry Chemical Physics : Pccp. 13: 7304-11. PMID 21359313 DOI: 10.1039/C0Cp02580A |
0.351 |
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| 2011 |
Jissy A, Ashik U, Datta A. Nucleic Acid G-quartets: Insights into Diverse Patterns and Optical Properties The Journal of Physical Chemistry C. 115: 12530-12546. DOI: 10.1021/Jp202401B |
0.317 |
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| 2011 |
Jose D, Datta A. Role of Multicentered Bonding in Controlling Magnetic Interactions in π-Stacked Bis-dithiazolyl Radical Crystal Growth & Design. 11: 3137-3140. DOI: 10.1021/Cg200396V |
0.361 |
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| 2011 |
Nijamudheen A, Jose D, Datta A. Metal encapsulation mediated planar to three dimensional structural transformation in Au-clusters: The venus flytrap effect Computational and Theoretical Chemistry. 966: 133-136. DOI: 10.1016/J.Comptc.2011.02.025 |
0.327 |
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| 2011 |
JISSY AK, RAMANA JHV, DATTA A. π-Stacking interactions between G-quartets and circulenes: A computational study Journal of Chemical Sciences. 123: 891-900. DOI: 10.1007/S12039-011-0155-7 |
0.321 |
|
| 2010 |
Jissy AK, Datta A. Designing molecular switches based on DNA-base mispairing. The Journal of Physical Chemistry. B. 114: 15311-8. PMID 21028866 DOI: 10.1021/Jp106732U |
0.325 |
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| 2010 |
Jissy A, Datta A. Isophlorin derivatives: Structures and materials for n-Channel Organic Semiconductors Journal of Computational Methods in Sciences and Engineering. 10: 203-218. DOI: 10.3233/Jcm-2010-0319 |
0.346 |
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| 2010 |
Mohan V, Datta A. Structures and electronic properties of Si-substituted benzenes and their transition-metal complexes Journal of Physical Chemistry Letters. 1: 136-140. DOI: 10.1021/Jz900080Q |
0.341 |
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| 2010 |
Jose D, Datta A. Molecular Rotor Inside a Phosphonate Cavitand: Role of Supramolecular Interactions The Journal of Physical Chemistry Letters. 1: 1363-1366. DOI: 10.1021/Jz1003507 |
0.321 |
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| 2010 |
Nijamudheen A, Jose D, Datta A. Why Does Gold(III) Porphyrin Act as a Selective Catalyst in the Cycloisomerization of Allenones? The Journal of Physical Chemistry C. 115: 2187-2195. DOI: 10.1021/Jp1101384 |
0.336 |
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| 2010 |
Nijamudheen A, Datta A. Odd–even oscillations in structural and optical properties of gold clusters Journal of Molecular Structure: Theochem. 945: 93-96. DOI: 10.1016/J.Theochem.2010.01.023 |
0.315 |
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| 2009 |
Datta A. Modelling doped (Ni, Pd, Pt) sulfur-nitrolic systems as new motifs for storage of hydrogen. Physical Chemistry Chemical Physics : Pccp. 11: 11054-9. PMID 19924341 DOI: 10.1039/B915204K |
0.364 |
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| 2009 |
Ramaswamy P, Hegde NN, Prabhu R, Vidya VM, Datta A, Natarajan S. Synthesis, structure, and transformation studies in a family of inorganic-organic hybrid framework structures based on indium. Inorganic Chemistry. 48: 11697-711. PMID 19911816 DOI: 10.1021/Ic901744M |
0.308 |
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| 2009 |
Zhang X, Datta A, Hrovat DA, Borden WT. Calculations predict a large inverse H/D kinetic isotope effect on the rate of tunneling in the ring opening of cyclopropylcarbinyl radical. Journal of the American Chemical Society. 131: 16002-3. PMID 19831346 DOI: 10.1021/Ja907406Q |
0.303 |
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| 2009 |
Wu A, Mader EA, Datta A, Hrovat DA, Borden WT, Mayer JM. Nitroxyl radical plus hydroxylamine pseudo self-exchange reactions: tunneling in hydrogen atom transfer. Journal of the American Chemical Society. 131: 11985-97. PMID 19618933 DOI: 10.1021/Ja904400D |
0.311 |
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| 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 |
0.56 |
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| 2009 |
Datta A. Role of metal ions (M = Li+, Na+, and K+) and pore sizes (crown-4, crown-5, and crown-6) on linear and nonlinear optical properties: New materials for optical birefringence Journal of Physical Chemistry C. 113: 3339-3344. DOI: 10.1021/Jp810198N |
0.318 |
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| 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 |
0.765 |
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| 2008 |
Datta A, Hrovat DA, Borden WT. Calculations predict rapid tunneling by carbon from the vibrational ground state in the ring opening of cyclopropylcarbinyl radical at cryogenic temperatures. Journal of the American Chemical Society. 130: 6684-5. PMID 18447359 DOI: 10.1021/Ja801089P |
0.306 |
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| 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 |
0.532 |
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| 2008 |
Datta A. How stable are the Mg-Mg bonds in magnesium (I) compounds toward hydrogenation? Journal of Physical Chemistry C. 112: 18727-18729. DOI: 10.1021/Jp808973E |
0.311 |
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| 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 |
0.708 |
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| 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 |
0.568 |
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| 2008 |
Ramaswamy P, Datta A, Natarajan S. Hierarchical structures in tin(II) oxalates European Journal of Inorganic Chemistry. 1376-1385. DOI: 10.1002/Ejic.200700735 |
0.363 |
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| 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 |
0.536 |
|
| 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 |
0.728 |
|
| 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 |
0.551 |
|
| 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 |
0.533 |
|
| 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 |
0.552 |
|
| 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 |
0.494 |
|
| 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 |
0.701 |
|
| 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 |
0.477 |
|
| 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 |
0.754 |
|
| 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 |
0.57 |
|
| 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 |
0.722 |
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| 2006 |
Datta A, Terenziani F, Painelli A. Cooperative interactions in supramolecular aggregates: linear and nonlinear responses in calix[4]arenes. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 7: 2168-74. PMID 16983717 DOI: 10.1002/Cphc.200600336 |
0.329 |
|
| 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 |
0.749 |
|
| 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 |
0.722 |
|
| 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 |
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 |
0.541 |
|
| 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 |
0.58 |
|
| 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 |
0.416 |
|
| 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 |
0.54 |
|
| 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 |
0.528 |
|
| 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 |
0.555 |
|
| 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 |
0.519 |
|
| 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 |
0.56 |
|
| 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 |
0.529 |
|
| 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 |
0.535 |
|
| 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 |
0.532 |
|
| 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 |
0.566 |
|
| 2005 |
Datta A, Pal S. Effects of conjugation length and donor–acceptor functionalization on the non-linear optical properties of organic push–pull molecules using density functional theory Journal of Molecular Structure: Theochem. 715: 59-64. DOI: 10.1016/J.Theochem.2004.10.054 |
0.344 |
|
| 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 |
0.525 |
|
| 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 |
0.749 |
|
| 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 |
0.442 |
|
| 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 |
0.559 |
|
| 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 |
0.57 |
|
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