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Carbon nanotube / Macrocycles / Crystal / Hybrid functional / Fullerene / Resorcinarene / Chemistry / Calixarene / Supramolecular chemistry


DFT/NBO study of Nanotube and Calixarene with anti-cancer drug
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City

Tehran / Calixarene / Anderson / Rasht / Pittsburg / Islamshahr / Pittsburgh / Kulkarni / Robb / Petersson / Wender / /

Company

Two-Phase Extraction Systems / LP(1)O32 LP / Gaussian Inc. / GE / Reed AE / Nielsen AB / Shimizu / Intel / Creative Commons / /

Country

Iran / United States / /

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Facility

CV Complex / Islamic Azad University / Shahid Beheshti University / University of Science / Agent Complex / /

IndustryTerm

quantum chemical / lower formation energy / energy hyperconjucation / free-energy calculations / hexagonal network / Density functional quantum chemical calculations / pharmaceutical industry / formation energy / biological systems / hyperconjugation energy / chemical vapor deposition / thermal energy / physical and chemical properties / alkali metal ion complexes / computational tools / energy vibration / energy / gap energy / hyperconjoucation energy / higher hyperconjugation energy / treatment of malignant disease / drug delivery systems / larger gap energy / chemical shifts / hyperconjucation energy / correlation energy density functionals / alkali earth metal ions complexes / alkali metal cations / energy sum / online submission / /

Organization

Young Researchers and Elites Club / Cornell / 3Young Researchers and Elites Club / Department of Chemistry / Science and Research Branch / Islamic Azad University / University of Science and Research Branch / Shahid Beheshti University / Tehran / /

Person

Schlegel / Shi Kam / Scuseria / Van Tendelool / Haider Shipar / /

Position

HB / Carpenter / author / Cao / /

Product

Karim Zare1 / 2 / Elham Pournamdari4 Abstract Nowadays / Nasim Shadmani3* / dihedral / B3LYP / Fluorouracil / /

ProvinceOrState

Kansas / Pennsylvania / Georgia / Massachusetts / /

PublishedMedium

Parameters / /

Technology

RAM / molecular modeling / polymerization / computational chemistry / apoptosis / chemical vapor deposition / Drug delivery / drug delivery system / gene delivery / drug design / /

URL

http /

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