Natural bond orbital theory is used to analyze electron density distribution and bonding interactions
the verdict
SUPPORTED
the evidence backs this
confidence 77/100
Natural bond orbital (NBO) theory is widely utilized in quantum-chemical and density functional theory investigations to analyze electron density distribution, charge transfer, and bonding interactions.
Evidence for · 4
Donor-acceptor dichotomy in novel Schiff bases: comprehensive spectroscopic and DFT investigation of intramolecular hydrogen bonding and charge-transfer properties.
2026 · cited by 1
Paper [3] uses natural bond orbital second-order perturbation energies to quantitatively evaluate hydrogen bonding and electronic structures in Schiff bases.
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More for · 3
Comparative quantum-chemical investigation of 2-chloro-N-(4-methoxyphenyl)acetamide and 2-(4-methoxyphenylamino)-2-oxoethyl meth/acrylate: DFT, TD-DFT, and non-covalent interaction analyses.
2026 · cited by 0
Paper [4] explicitly employs natural bond orbital (NBO) analysis to investigate the electronic properties and charge distribution of acetamide and acrylate derivatives.
Al- and Ga-doped graphitic carbon nitride as a temozolomide nanocarrier platform: a DFT study of adsorption and interfacial interactions.
2026 · cited by 0
Paper [8] applies natural bond orbital analysis to examine the adsorption mechanisms and electron transfer interactions of drug molecules on nanocarrier platforms.
Insights Into the Nature of Bifurcated Intermolecular Hydrogen-Bonds in Symmetrical Complexes of 1,8-Naphthyridine-4,5(1H,8H)-Dione With Small Molecules (H<sub>2</sub>O, H<sub>2</sub>S, Furan, Thiofuran, and Pyridine).
2026 · cited by 0
Paper [11] utilizes natural bond orbital analysis to account for hyperconjugative charge transfer and the formation of hydrogen bonds in molecular complexes.