Computational and Theoretical Chemistry
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Sắp xếp:
Density functional investigation of X@BnHn (X=B+, Be; n=5–8)
Computational and Theoretical Chemistry - Tập 1021 - Trang 144-148 - 2013
G3(MP2)//B3-SBK: A revision of a composite theory for calculations of thermochemical properties including some non-transition elements beyond the fourth period
Computational and Theoretical Chemistry - Tập 1149 - Trang 1-7 - 2019
Theoretical investigation on the Pt(ІІ)-catalyzed tandem migration reactions of propargylic carboxylates
Computational and Theoretical Chemistry - Tập 1019 - Trang 11-17 - 2013
DFT study on Pt(II)-catalyzed tandem reaction of propargylic ester
Computational and Theoretical Chemistry - Tập 993 - Trang 125-130 - 2012
QTAIM and NCI analysis of intermolecular interactions in steroid ligands binding a cytochrome P450 enzyme – Beyond the most obvious interactions
Computational and Theoretical Chemistry - Tập 1111 - Trang 40-49 - 2017
Theoretical study on the mechanism and kinetics for the reaction of HNCO with CN radical: HNCO+CN→HCN+NCO or HNCO+CN→HNCN+CO?
Computational and Theoretical Chemistry - Tập 1014 - Trang 43-48 - 2013
Cu, Ag and Au clusters as air pollutants hunters
Computational and Theoretical Chemistry - Tập 1130 - Trang 15-23 - 2018
Asymmetric electron transport through a conjugated–saturated hydrocarbon molecular wire
Computational and Theoretical Chemistry - Tập 963 - Trang 55-62 - 2011
Structural properties of solid nuclei forming in Lennard–Jones clusters during simulated cooling
Computational and Theoretical Chemistry - Tập 1021 - Trang 268-274 - 2013
On infinitenes – Reliable calculation of λ∞ and molecular modeling of lemniscate structured carotenoids
Computational and Theoretical Chemistry - Tập 1125 - Trang 133-141 - 2018
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