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Spectroscopic investigation, DFT and TD-DFT calculations of 7-(Diethylamino) Coumarin (C466)
Spectroscopic investigation, DFT and TD-DFT calculations of 7-(Diethylamino) Coumarin (C466)
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Spectroscopic investigation, DFT and TD-DFT calculations of 7-(Diethylamino) Coumarin (C466)

Gawad, Sayed A. Abdel ; Sakr, Mahmoud A.S.

Journal of molecular structure, 2022-01, Vol.1248, p.131413, Article 131413 [Periódico revisado por pares]

Elsevier B.V

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Computational analysis of ligand design for Ru half-sandwich sensitizers in bulk heterojunction (BHJ) solar cells: Exploring the role of –NO2 group position and π-conjugation in optimizing efficiency
Computational analysis of ligand design for Ru half-sandwich sensitizers in bulk heterojunction (BHJ) solar cells: Exploring the role of –NO2 group position and π-conjugation in optimizing efficiency
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Computational analysis of ligand design for Ru half-sandwich sensitizers in bulk heterojunction (BHJ) solar cells: Exploring the role of –NO2 group position and π-conjugation in optimizing efficiency

Kerraj, Said ; Harbi, Amine ; El Mecherfi, Kassem ; Moussaoui, Mohamed ; Salah, Mohammed ; Belaaouad, Said ; Mohammed, Moutaabbid

Journal of the Indian Chemical Society, 2024-05, Vol.101 (5), Article 101148 [Periódico revisado por pares]

Elsevier B.V

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3
Performance improvement of p-type dye sensitized solar cells by blending of dissimilar dyes
Performance improvement of p-type dye sensitized solar cells by blending of dissimilar dyes
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Performance improvement of p-type dye sensitized solar cells by blending of dissimilar dyes

Bhattacharya, Sumantra ; Md Pratik, Saied

Computational and theoretical chemistry, 2021-05, Vol.1199, p.113219, Article 113219 [Periódico revisado por pares]

Elsevier B.V

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4
Nonreductive homolytic scission of endoperoxide bond for activation of artemisinin: A parallel mechanism to Heterolytic cleavage
Nonreductive homolytic scission of endoperoxide bond for activation of artemisinin: A parallel mechanism to Heterolytic cleavage
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Nonreductive homolytic scission of endoperoxide bond for activation of artemisinin: A parallel mechanism to Heterolytic cleavage

Sharma, Shikha ; Ali, Md. Ehesan

Journal of physical organic chemistry, 2022-09, Vol.35 (9), p.n/a [Periódico revisado por pares]

Bognor Regis: Wiley Subscription Services, Inc

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5
Unveiling the effect of solvent polarity on the excited state intramolecular proton transfer and hydrogen bond mechanisms of DHP
Unveiling the effect of solvent polarity on the excited state intramolecular proton transfer and hydrogen bond mechanisms of DHP
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Unveiling the effect of solvent polarity on the excited state intramolecular proton transfer and hydrogen bond mechanisms of DHP

Song, Yao‐Dong ; Wang, Qian‐Ting ; Chen, Li

Journal of physical organic chemistry, 2023-04, Vol.36 (4), p.n/a [Periódico revisado por pares]

Bognor Regis: Wiley Subscription Services, Inc

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6
Effects of solvents on the excited‐state intramolecular proton transfer in 3‐HTC
Effects of solvents on the excited‐state intramolecular proton transfer in 3‐HTC
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Effects of solvents on the excited‐state intramolecular proton transfer in 3‐HTC

Song, Yao‐Dong ; Wang, Qian‐Ting ; Gao, Wei‐wei ; He, Zhixiong ; Wu, Yan

Journal of physical organic chemistry, 2022-10, Vol.35 (10), p.n/a [Periódico revisado por pares]

Bognor Regis: Wiley Subscription Services, Inc

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7
Synthesis and conformational studies on 1-aryl-cis-2,6-diphenylpiperidines
Synthesis and conformational studies on 1-aryl-cis-2,6-diphenylpiperidines
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Synthesis and conformational studies on 1-aryl-cis-2,6-diphenylpiperidines

Rao, H. Surya Prakash ; Poonguzhali, E. ; Muthukumaran, Jayaraman

Journal of molecular structure, 2021-05, Vol.1232, p.130065, Article 130065 [Periódico revisado por pares]

Elsevier B.V

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8
Response of Si- and Al-doped graphenes toward HCN: A computational study
Response of Si- and Al-doped graphenes toward HCN: A computational study
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Response of Si- and Al-doped graphenes toward HCN: A computational study

Rastegar, Somayeh F. ; Peyghan, Ali Ahmadi ; Hadipour, Nasser L.

Applied surface science, 2013-01, Vol.265, p.412-417 [Periódico revisado por pares]

Amsterdam: Elsevier B.V

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9
Partial density of states ligand field theory (PDOS-LFT): Recovering a LFT-like picture and application to photoproperties of ruthenium(II) polypyridine complexes
Partial density of states ligand field theory (PDOS-LFT): Recovering a LFT-like picture and application to photoproperties of ruthenium(II) polypyridine complexes
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Partial density of states ligand field theory (PDOS-LFT): Recovering a LFT-like picture and application to photoproperties of ruthenium(II) polypyridine complexes

Magero, Denis ; Casida, Mark E. ; Amolo, George ; Makau, Nicholas ; Kituyi, Lusweti

Journal of photochemistry and photobiology. A, Chemistry., 2017-11, Vol.348, p.305-325 [Periódico revisado por pares]

Lausanne: Elsevier B.V

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10
Pt-decorated graphene as superior media for H2S adsorption: A first-principles study
Pt-decorated graphene as superior media for H2S adsorption: A first-principles study
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Pt-decorated graphene as superior media for H2S adsorption: A first-principles study

Ganji, Masoud Darvish ; Sharifi, Narges ; Ardjmand, Mahdi ; Ahangari, Morteza Ghorbanzadeh

Applied surface science, 2012-11, Vol.261, p.697-704 [Periódico revisado por pares]

Amsterdam: Elsevier B.V

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