KV-CompChem@CSIR-NCL
@KVCompChemNCL
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Our group focuses on understanding the chemical reactions using various computational methods.
Pune
Joined December 2020
Dynamic aromaticity drives regioselectivity! 🔄Our new JOC @joc_ol @ACSPublication study uncovers how shifting aromatic character controls outcomes in NHC reactions.Big thanks to Prof. Israel @fernandez_group for his contribution. @Himanshu_S_Chem#compchem.
pubs.acs.org
Aromaticity is a fundamental force shaping molecular stability and reactivity, yet its dynamic role along reaction coordinates remains poorly understood. In this study, we unveil how dynamic changes...
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RT @ccsl_iitd: Check out this innovative bioinspired synthesis! .Silver-catalyzed cascade reaction creates unique bridged isochromane-pyraz….
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RT @Himanshu_S_Chem: Regioselectivity isn’t luck—it’s aromaticity in action! 🔥.Discover how dynamic aromaticity guides NHC chemistry in our….
pubs.acs.org
Aromaticity is a fundamental force shaping molecular stability and reactivity, yet its dynamic role along reaction coordinates remains poorly understood. In this study, we unveil how dynamic changes...
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RT @ChemistryAshoka: @KumarVanka1 bringing molecular motors to an enraptured audience at #FACTS2025!
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RT @KumarVanka1: Excellent talk by Sakya Sen at Ashoka University at the Conference celebrating Dr. Pal’s 70th Birthday! .
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Excited to share our latest research published in Chemical Science titled “The Critical Helping Hand of Water: Theory Shows the Way to Obtain Elusive, Granular Information about Kinetic Asymmetry Driven Systems ” Congrats to @priyamb70083819 and Shrivatsa.
pubs.rsc.org
Kinetic asymmetry is crucial in chemical systems where the selective synthesis of one product over another, or the acceleration of specific reaction(s) is necessary. However, obtaining precise...
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Delighted to tell everyone that one of my former students, Dr. Shailja Jain @ShailjaJain15 has secured a permanent faculty position at VIT-AP. Congratulations, Shailja, and best wishes as you embark on this exciting new chapter!!! @csir_ncl.
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Thrilled to share our latest research paper published in #chemphyschem Titled “Pushing the Boundaries of Pnictogen‐Bonding Organocatalysis: A Clash of Sb(III) versus Bi(III) ”Kudos to @SRDChem and @JyotiSharma9496.
chemistry-europe.onlinelibrary.wiley.com
Tri-aryl-substituted bismuth(III) complexes exhibit superior anion (Cl−) binding affinity and perform as a better organocatalysts as compared to their antimony analogues. Additionally, the impact of...
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RT @sakya_sen: This time it's magnesium! Our latest @InorgChem reports a Mg-catalyst that reduces all amides. Kudos to @BiplabM03171502 for….
pubs.acs.org
Catalytic hydroboration of amides is highly important because the resultant amines are commonly found in natural products, pharmaceuticals, agrochemicals, dyes, and other applications. In comparison...
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RT @sakya_sen: Sometimes we work on Mn (not Mg) especially when @bischem007 helps us! A great collaborative work on borylation led by @Prat….
pubs.rsc.org
Compounds containing carbon–boron bonds serve as valuable intermediates for constructing more complex molecules by transforming these bonds into other carbon–element bonds. The catalytic dehydrogen...
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RT @sakya_sen: Are nucleophilic carbenes necessary in making imines? In our latest Organometallics paper, we show that DACs can do it too-….
pubs.acs.org
This report communicates the first examples of N-heterocyclic imines based on electrophilic diamido carbenes (DACs). While 2 is prepared by classical Staudinger synthesis, 4 is obtained via an...
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RT @csir_ncl: We celebrated the National Technology Day 2025 with a special lecture by Mr. Karthick R., on.“Deployment of Artificial Intell….
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15th PhD From the Lab:.#LatePost.Congratulations Dr. Soumya @SRDChem for the successful completion of his PhD defense. @csir_ncl 🎉🎉 . Happy to announce that Soumya will join Prof. Jochen Autschbach's Lab @SUNY Buffalo as a Postdoctoral Research Fellow 🎉👏🏼👏🏼 .Best Wishes 👍🏼👍🏼💐
Ph.D. Defense Done ✅ 😊 Thank you @csir_ncl @AcSIR_India @KVCompChemNCL . On to the next phase. Feeling Grateful. 😇🙏🏼
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RT @sakya_sen: Excited to share our first paper of 2025 in Organometallics! .We describe the scission of OH and CH bond by magnesium using….
pubs.acs.org
In our previous paper, we reported that the reaction of a tridentate nacnac ligand with a pendant picolyl group, with KHMDS and MgI2, resulted in the formation of a homoleptic hexacoordinate magnes...
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Congratulations to the entire Team 🎉👏🏼.
Check out our recent publication on a pair of Dinuclear Fe(II) Enantiomers-Bis(Dihydridoborate) Complexes @ChemEurJ .Big thumps to @UKaur_27 @Gayen_CR7_RMFC and thanks to @KumarVanka1 @Himanshu_S_Chem for the collaboration!.
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We are delighted to announce that Dr. Manoj Mane has been awarded the ANRF Prime Minister Early Career Research Grant for his project titled,. "Computational Investigations for Designing of Carbene Analogue Ligands: Application for Asymmetric Catalysis.”
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RT @MarioBarbatti: It started as X discussion in Aug 2024. Now it's a preprint:. When Theory Came First: A Review of Theoretical Chemical P….
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RT @Himanshu_S_Chem: Thrilled 🎉to contribute theoretical insights into the bonding nature of an enantiomeric pair of Iron(II) dimer complex….
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RT @sakya_sen: Our latest Angewandte paper - excellent collaboration between synthesis (@KritikaGour94 @2Debjit), theory (@SRDChem @KumarVa….
onlinelibrary.wiley.com
Reductive coupling of perimidine based N-heterocyclic germylene and 4-iodophenyl isocyanide afforded a highly colored and luminescent bis-spirogerma species with unprecedented simultaneous C−N and...
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