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Computational Inorganic Chemistry @ IIT Hyderabad Profile
Computational Inorganic Chemistry @ IIT Hyderabad

@cicg_group

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PI: Dr. Saurabh K. Singh |Computational chemistry|Molecular Magnetism|Catalysis|Periodic DFT https://t.co/wanZjyG0iX

Telangana, Hyderabad
Joined March 2023
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@cicg_group
Computational Inorganic Chemistry @ IIT Hyderabad
26 days
Thrilled to announce that @shruti_moorthy has successfully defended her PhD thesis! The first PhD graduate from @cicg_group, now officially Dr. Shruti Moorthy. Wishing her a successful journey ahead!#PhDdefense #pmrf #cicg #iith
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Computational Inorganic Chemistry @ IIT Hyderabad
2 months
Glad to host @CompCatLab (Prof. Bhaskar Mondal). His lecture on “Electronic structure and reactivity of metal nitrenoid species” was truly enlightening. #CASSCF #Electronic structure #Open shell systems #Bioinspired catalysis.@cicg_group @CHYIITH @IITHyderabad @SaurabhKS88
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@cicg_group
Computational Inorganic Chemistry @ IIT Hyderabad
3 months
Well done @shruti_moorthy on receiving the RSC Poster Prize Award at the MTMM-SiMS 2024 for her work on "Computational insights into modulation of magnetic anisotropy in Co(II) and Dy(III) based SIMs" @DaltonTrans. Thanks @CHYIITH @IITHyderabad @PMRF and @serbonline for funding.
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@cicg_group
Computational Inorganic Chemistry @ IIT Hyderabad
3 months
Our PI @SaurabhKS88 delivered an invited talk at the MTMM IV/SiMS III 2024, @iiscbangalore, about the "Molecular modelling of Ln(III) based SIMs and their encapsulation in MOFs and nanotubes." Thanks @CHYIITH, @IITHyderabad and @serbonline for financial support.
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@cicg_group
Computational Inorganic Chemistry @ IIT Hyderabad
3 months
Finally we are also thankful to Prof. @sandeep_kpg for delivering a wonderful talk on "Molecular Engineering to Maximize Magnetic Anisotropy in 3d and 4f Single-Ion Magnets" at the @CHYIITH. Thanks to @IITHyderabad and @serbonline for funding.
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@cicg_group
Computational Inorganic Chemistry @ IIT Hyderabad
3 months
We thank Prof. Lorenzo Sorace for an amazing session covering the basics and advancement of "Qu-bits and Qu-gates Based on Molecular Magnets" at the workshop on "Advances in Molecular Magnetism" held @CHYIITH. Thanks to @IITHyderabad and @serbonline for funding support.
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@cicg_group
Computational Inorganic Chemistry @ IIT Hyderabad
3 months
Huge thanks to Prof. Federico Totti for sharing his expertise and insights on "Elective affinities: when molecular magnets meet the surface" as a part of the workshop "Advances in Molecular Magnetism" organised @CHYIITH on 4th Nov. Thanks @IITHyderabad and @serbonline for funding
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@cicg_group
Computational Inorganic Chemistry @ IIT Hyderabad
3 months
📢 Workshop on "Advances in Molecular Magnetism at IIT Hyderabad" 🗓 4th Nov 2024, 10 AM - 3 PM Prof. F. Totti Prof. L. Sorace Prof. S. K. Gupta 🔗 Register: @serbonline @CHYIITH @IITHyderabad @SaurabhKS88 @sandeep_kpg
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@cicg_group
Computational Inorganic Chemistry @ IIT Hyderabad
4 months
We are thrilled to share that our recent work on Dy(III) exohedral substituted fullerene complexes is featured as the inner front cover in @DaltonTrans. Thanks to @IITHyderabad @CHYIITH @serbonline and #pmrf for funding. @SaurabhKS88 @KusumKumari_11
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@cicg_group
Computational Inorganic Chemistry @ IIT Hyderabad
5 months
RT @I_Tarannum007: Thrilled to share our latest paper in @PCCP on computational modeling of #Dy_complexes, unraveling their #Electronic_str
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Computational Inorganic Chemistry @ IIT Hyderabad
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Computational Inorganic Chemistry @ IIT Hyderabad
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Computational Inorganic Chemistry @ IIT Hyderabad
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Computational Inorganic Chemistry @ IIT Hyderabad
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Computational Inorganic Chemistry @ IIT Hyderabad
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Computational Inorganic Chemistry @ IIT Hyderabad
7 months
We are thrilled to share that our recent work on Dy(III) crown complexes is featured as the inner front cover in @DaltonTrans. Thanks to @IITHyderabad @CHYIITH @serbonline and #pmrf for funding. @SaurabhKS88 @shruti_moorthy
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Computational Inorganic Chemistry @ IIT Hyderabad
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