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Articles (79)

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1-10 of 79 results for LUMO

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Select article: HOMO-LUMO photosensitization analyses of coronene-cytosine complexes

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Research article

First published 2021-12-22

HOMO-LUMO photosensitization analyses of coronene-cytosine complexes

Mahmoud Mirzaei, Amir Hossein Rasouli

Main Group Chemistry

Select article: Implicit and explicit solvent effects on the selectivity of the cycloaddition reaction of cyclopentadiene and methyl acrylate;a theoretical study

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Research article

First published 2015-7

Implicit and explicit solvent effects on the selectivity of the cycloaddition reaction of cyclopentadiene and methyl acrylate;a theoretical study

Mohammad Khavani, Mohammad Izadyar

Progress in Reaction Kinetics and Mechanism

Select article: GaN doped C 60 as a nano bio sensor for the detection of mispairing in adenine-thymine base pair

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Research article

First published 2014-11

GaN doped C 60 as a nano bio sensor for the detection of mispairing in adenine-thymine base pair

Shamoon Ahmad Siddiqui

Main Group Chemistry

Select article: Structural,vibrational,and electronic properties of 2-methyl-5-nitro-1 H -benzimidazole-6-amine: An experimental and theoretical approach

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Research article

First published 2026

Structural,vibrational,and electronic properties of 2-methyl-5-nitro-1 H -benzimidazole-6-amine: An experimental and theoretical approach

Seda Kulen

Main Group Chemistry

Select article: Quantum chemical calculations of a novel Specie – Boron Nano Bucket (B16) and the interaction of its complex (B15-Li) with drug Resorcinol

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Research article

First published 2020-8

Quantum chemical calculations of a novel Specie – Boron Nano Bucket (B16) and the interaction of its complex (B15-Li) with drug Resorcinol

Anoop Kumar Pandey, Vijay Singh, Apoorva Dwivedi

Journal of Computational Methods in Sciences and Engineering

Select article: A path-based boosting algorithm for exploring transition metal compounds

Open access

Research article

First published 2026

A path-based boosting algorithm for exploring transition metal compounds

Claudio Meggio, Johan Pensar, David Balcells [...]

Statistical Modelling

Select article: Coumarin-based random copolymer

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Research article

First published 2018-6

Coumarin-based random copolymer

Feride Akman

Journal of Thermoplastic Composite Materials

Select article: Polyazomethine with vinylene and phenantridine moieties in the main chain: Synthesis,characterization,opto(electrical) properties and theoretical calculations

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Research article

First published 2012-6

Polyazomethine with vinylene and phenantridine moieties in the main chain: Synthesis,characterization,opto(electrical) properties and theoretical calculations

Agnieszka Iwan, Jeconias Rocha Guimarães, Maria Cristina dos Santos [...]

High Performance Polymers

Select article: Effects of Solvent and Side-Chain Length on the Cycloaddition of Cyclopentadiene to N -alkylmaleimides: A Dft Study

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Research article

First published 2017-2

Effects of Solvent and Side-Chain Length on the Cycloaddition of Cyclopentadiene to N -alkylmaleimides: A Dft Study

Javad Karimi

Progress in Reaction Kinetics and Mechanism

Select article: Decoding magic numbers in helium droplet mass spectra: An experimental and DFT perspective on corannulene-H₂ and -D₂ cluster stability

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Research article

First published 2026

Decoding magic numbers in helium droplet mass spectra: An experimental and DFT perspective on corannulene-H₂ and -D₂ cluster stability

Noor Ul Ain Sarwar, Shanawer Niaz, Bilal Rasul

European Journal of Mass Spectrometry

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