Susmita De

发表

Application of Density Functional Theory in Organometallic Complexes: A Case Study of Cp2M Fragment (M=Ti, Zr) in C—C Coupling and Decoupling Reactions

E. Jemmis, Susmita De, 2009 .

Molecular mechanism of Be2+-ion binding to HLA-DP2: tetrahedral coordination, conformational changes and multi-ion binding.

M. Zacharias, Susmita De, Gopika Sabu, 2019, Physical chemistry chemical physics : PCCP.

A Catalyst with Two‐Coordinate Nickel: Theoretical and Catalytic Studies

G. Sheldrick, E. Carl, H. Roesky, 2014 .

6π, 8π and 10π Six Membered Sulfur Nitrogen Compounds: A Comparative Study with Organic Analogues

Susmita De, M. Sadik, Susan Liya, 2019, ChemistrySelect.

Linearly polarized emission from PTCDI-C8 one-dimensional microstructures

S. Ray, Susmita De, V. S. Reddy, 2013 .

Comparing Nucleophilicity of Heavier Heteroleptic Amidinato‐Amido Tetrelylenes: An Experimental and Theoretical Study

Susmita De, P. Parameswaran, Shabana Khan, 2016 .

CO2 adducts of Lewis acid–base pairs (LBCO2LA; LB = PMe3, NHC and LA = AlH3, AlCl3, BH3) − analogous to carboxylic acids and their derivatives

Susmita De, P. Parameswaran, I. Purushothaman, 2014 .

Neutral tricoordinated beryllium(0) compounds--isostructural to BH(3) but isoelectronic to NH(3).

Susmita De, P. Parameswaran, 2013, Dalton transactions.

Electronic structure of six-membered N-heterocyclic carbenes and its heavier analogues: reactivity of the lone pair versus the exocyclic double bond.

Susmita De, P. Parameswaran, V. C. Rojisha, 2012, Inorganic chemistry.

Intermolecular Interactions in Fluorinated Tetraarylporphyrins: An Experimental and Theoretical Study

B. Varghese, Susmita De, P. Parameswaran, 2014 .

One-Pot Catalytic Synthesis of gem-Diazides and Their Direct Conversion into Safe Materials

H. Roesky, S. Kundu, Susmita De, 2017 .

Cation–π and hydrophobic interaction controlled PET recognition in double mutated cutinase – identification of a novel binding subsite for better catalytic activity

Susmita De, A. James, 2022, RSC advances.

An Aluminum Hydride That Functions like a Transition-Metal Catalyst.

H. Roesky, Susmita De, P. Parameswaran, 2015, Angewandte Chemie.

Electronic Structure and Bonding in N-Hetero Cyclic Carbene Stabilized Naked Group 16 Atoms – In-Plane Hyperconjugation and Bond Polarity

Susmita De, L. Jose, 2022, SSRN Electronic Journal.

Catalyst free boron carbon bond cleavage and facile formation of five-membered PNBCC heterocycles.

R. Dasgupta, Susmita De, P. Parameswaran, 2017, Dalton transactions.

Trapping a Silicon(I) Radical with Carbenes: A Cationic cAAC-Silicon(I) Radical and an NHC-Parent-Silyliumylidene Cation.

Yongxin Li, Susmita De, P. Parameswaran, 2017, Angewandte Chemie.

An Aluminum Dihydride Working as a Catalyst in Hydroboration and Dehydrocoupling.

H. Roesky, Susmita De, P. Parameswaran, 2016, Journal of the American Chemical Society.

Differential reactivity of 3H-indole styrylcyanines: Intermolecular [4π + 2π] cycloaddition vs. proton - shift coupled six - electron electrocyclization

P. Antharjanam, Susmita De, P. Parameswaran, 2018, Tetrahedron.

Synthesis of a Bent 2-Silaallene with a Perturbed Electronic Structure from a Cyclic Alkyl(amino) Carbene-Diiodosilylene.

Yongxin Li, Susmita De, P. Parameswaran, 2016, Inorganic chemistry.

2-Adamantylidene and its heavier analogues: hyperconjugation versus lone pair stability and electrophilicity versus nucleophilicity.

Susmita De, P. Parameswaran, V. C. Rojisha, 2015, Dalton transactions.

Multiple Cycloaddition Reactions of Ketones with a β-Diketiminate Al Compound.

H. Roesky, Susmita De, C. Schulzke, 2015, Chemistry.

Photophysical and duplex-DNA-binding properties of distamycin dimers based on 4,4'- and 2,2'-dialkoxyazobenzenes as the core.

S. Bhattacharya, E. Jemmis, Susmita De, 2008, Chemistry, an Asian journal.

Design, synthesis, and DNA binding properties of photoisomerizable azobenzene-distamycin conjugates: an experimental and computational study.

S. Bhattacharya, E. Jemmis, Susmita De, 2008, Bioconjugate chemistry.

A Dicobalt Coordination Complex with a Short Cobalt-Cobalt Distance

D. Stalke, R. Herbst‐Irmer, H. Roesky, 2018, ChemistrySelect.

Effect of ancillary ligand on DNA and protein interaction of the two Zn (II) and Co (III) complexes: experimental and theoretical study

U. Das, Susmita De, S. S. Mati, 2021, Journal of biomolecular structure & dynamics.

Extended Sandwich Molecules Displaying Direct Metal–Metal Bonds

S. K. Barik, Susmita De, Sundargopal Ghosh, 2016 .

Fine Tuning of the Substituents on the N-Geminal Phosphorus/Silicon-Based Lewis Pairs for the Synthesis of Z-Type Silyliminophosphoranylalkenes

Susmita De, P. Parameswaran, Jiancheng Li, 2015 .

Stabilization of a two-coordinate mononuclear cobalt(0) compound.

W. Kaim, H. Roesky, B. Dittrich, 2014, Chemistry.

Roles of different amino-acid residues towards binding and selective transport of K+ through KcsA K+-ion channel.

Susmita De, Rinsha C H, Hanna Thamleena A, 2018, Physical chemistry chemical physics : PCCP.

Stepwise isolation of an unprecedented silylene supported dinuclear gold(i) cation with aurophilic interaction.

Susmita De, P. Parameswaran, Shabana Khan, 2016, Chemical communications.

S 2 N 2 – A 6π‐Electron Ligand with Tunable σ‐ and π‐ Donor‐Acceptor Property

Susmita De, Mohammed Sadik, 2020 .

Ring contraction of six-membered metallabenzynes to five-membered metal-carbene complexes: a comparison with organic analogues.

Susmita De, P. Parameswaran, C. Anusha, 2013, Dalton transactions.

Through Space Sigma Donation π Acceptor Assisted Photocatalytic Degradation of Ciprofloxacin on TCPP Supported g‐C 3 N 4

Susmita De, Sebastian Nybin Remello, Suja Haridas, 2023, ChemistrySelect.

Small-angle X-ray scattering from micellar solutions of gemini surfactants

V. Aswal, S. Bhattacharya, H. Amenitsch, 2000 .

Ring contraction of metallabenzooxirene to metal carbonyl complexes - a comparative study with the Wolff rearrangement of oxirene and benzooxirene.

Susmita De, P. Parameswaran, C. Anusha, 2017, Dalton transactions.

Half-sandwich group 8 borylene complexes: synthetic and structural studies and oxygen atom abstraction chemistry

S. Aldridge, E. Jemmis, Susmita De, 2009 .

Orbital Understanding to the Origin of Site-Specific Band Gap Tuning in Electron-Rich S-Doped and Electron Precise C,S-Dual-Doped Graphitic Carbon Nitride

Susmita De, Gibu George, Mohammed Sadik N. K, 2023, The Journal of Physical Chemistry C.

Singlet 2-adamantylidene--an ambiphilic foiled carbene stabilized by hyperconjugation.

Susmita De, P. Parameswaran, V. C. Rojisha, 2013, Chemical communications.

Site-selective post-modification of short α/γ hybrid foldamers: a powerful approach for molecular diversification towards biomedical applications.

R. Vasita, Susmita De, P. Prabhakaran, 2023, Biomaterials science.

Nature of C N bond in N-heterocyclic carbene

Susmita De, P. Parameswaran, I. Purushothaman, 2021 .