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The Design of Blue Emitting Materials Based on Spirosilabifluorene Derivatives.

, , and . International Conference on Computational Science (2), volume 4488 of Lecture Notes in Computer Science, page 319-326. Springer, (2007)

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Energy Partitioning Analysis of the Chemical Bonds in mer -Mq3 (M = AlIII, GaIII, InIII, TlIII)., and . International Conference on Computational Science (2), volume 4488 of Lecture Notes in Computer Science, page 331-334. Springer, (2007)DFT studies on the mechanism of Ag2CO3-catalyzed hydroazidation of unactivated terminal alkynes with TMS-N3: An insight into the silver(I) activation mode., , , and . J. Comput. Chem., 38 (27): 2289-2297 (2017)Mechanistic details of metal-free cyclization reaction of organophosphorus oxide with alkynes mediated by 2, 6-lutidine and Tf2O., , and . J. Comput. Chem., 41 (18): 1709-1717 (2020)Judicious design functionalized 3D-COF to enhance CO2 adsorption and separation., , , , , , and . J. Comput. Chem., 42 (13): 888-896 (2021)The Design of Blue Emitting Materials Based on Spirosilabifluorene Derivatives., , and . International Conference on Computational Science (2), volume 4488 of Lecture Notes in Computer Science, page 319-326. Springer, (2007)Gas adsorption in Mg-porphyrin-based porous organic frameworks: A computational simulation by first-principles derived force field., , and . Journal of Computational Chemistry, 38 (24): 2100-2107 (2017)The Design of Tris(o-phenylenedioxy)cyclo-trisphosphazene (TPP) Derivatives and Analogs toward Multifunctional Zeolite Use., , and . ICCS (2), volume 5545 of Lecture Notes in Computer Science, page 229-237. Springer, (2009)