A
Aland Sinjari
Publications - 4
Citations - 8
Aland Sinjari is an academic researcher. The author has contributed to research in topics: Chemistry & Computer science. The author has an hindex of 2, co-authored 4 publications receiving 8 citations.
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Why an integrated approach between search algorithms and chemical intuition is necessary?
Venkatesan S. Thimmakondu,Aland Sinjari,Diego Inostroza,Pothiappan Vairaprakash,Krishnan Thirumoorthy,Saikat Roy,Anakuthil Anoop,William Tiznado +7 more
TL;DR: In this article , an integrated approach between search algorithms and chemical intuition is used to solve the problem of structural isomerism in the C12O2Mg2 system, which yielded 1450 different geometries and eighteen new geometry within 40.0 kcal mol-1 at the PBE0-D3/def2-TZVP level.
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Pentacoordinate Carbon Atoms in a Ferrocene Dication Derivative—[Fe(Si2-η5-C5H2)2]2+
TL;DR: Pentacoordinate carbon atoms are theoretically predicted here in a ferrocene dication derivative in the eclipsed-(1; C2v), gauche-(2; C 2) and staggered-[Fe(Si2-η5-C5H2)2]2+(3;C2h) forms for the first time as discussed by the authors .
Journal ArticleDOI
Why Are MgC3H Isomers Missing in the Interstellar Medium?
Sunanda Panda,Devipriya Sivadasan,Nisha Job,Aland Sinjari,Krishnan Thirumoorthy,Anakuthil Anoop,Venkatesan S. Thimmakondu +6 more
TL;DR: In this article , the global minimum geometry of MgC3H has been shown to be a cyclic isomer, 2-magnesabicyclo[1.1] but-1,3,4-triyl (1, C2v, 2A1).