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1
Low-temperature rapid UV sintering of sputtered TiO2 for flexible perovskite solar modules
Low-temperature rapid UV sintering of sputtered TiO2 for flexible perovskite solar modules
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Low-temperature rapid UV sintering of sputtered TiO2 for flexible perovskite solar modules

Yoo, Yongseok ; Seo, Gabseok ; Hee Jeong Park ; Kim, Jichan ; Jang, Jihun ; Cho, Woosum ; Kim, Ji Hwan ; Shin, Jooyeon ; Choi, Ji Seong ; Lee, Donghyeon ; Se-Woong Baek ; Lee, Sungkoo ; Kang, Seong Min ; Min-cheol, Kim ; Yung-Eun Sung ; Bae, Seunghwan

Journal of materials chemistry. A, Materials for energy and sustainability, 2024-12, Vol.12 (3), p.1562-1572 [Periódico revisado por pares]

Cambridge: Royal Society of Chemistry

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2
First-principles study of lithium behavior in the ABA-stacking trilayer graphene with defects
First-principles study of lithium behavior in the ABA-stacking trilayer graphene with defects
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First-principles study of lithium behavior in the ABA-stacking trilayer graphene with defects

Shen, Ding ; Ji, YanZhen ; Fu, XiaoFan ; Ren, ZhaoQi ; Dong, Wei ; Tang, ShuWei

Journal of molecular structure, 2024-12, Vol.1317, p.139152, Article 139152 [Periódico revisado por pares]

Elsevier B.V

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3
Green route to synthesize zinc oxide nanoparticles (ZnONPs) using leaf extracts of Merremia quinquefolia (L.) Hallier f. and their potential applications
Green route to synthesize zinc oxide nanoparticles (ZnONPs) using leaf extracts of Merremia quinquefolia (L.) Hallier f. and their potential applications
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Green route to synthesize zinc oxide nanoparticles (ZnONPs) using leaf extracts of Merremia quinquefolia (L.) Hallier f. and their potential applications

Bharathi, Arasangam ; Meena, Raji ; Ravichandran, Devaraj ; Natarajan, Devarajan ; Gatasheh, Mansour K. ; Ahamed, Anis ; Kawuri, Retno ; Murugesan, Subban

Journal of molecular structure, 2024-12, Vol.1317, p.139110, Article 139110 [Periódico revisado por pares]

Elsevier B.V

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4
Crystal structure, antioxidant evaluation, theoretical investigation: DFT, docking, and ADMET properties evaluation of 1-[(E)-2-(2-fluorophenyl) diazan-1-ylidene] naphthalen-2(1H)-one
Crystal structure, antioxidant evaluation, theoretical investigation: DFT, docking, and ADMET properties evaluation of 1-[(E)-2-(2-fluorophenyl) diazan-1-ylidene] naphthalen-2(1H)-one
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Crystal structure, antioxidant evaluation, theoretical investigation: DFT, docking, and ADMET properties evaluation of 1-[(E)-2-(2-fluorophenyl) diazan-1-ylidene] naphthalen-2(1H)-one

Akkache, Hibet Errahmane Meroua ; Hamdouni, Noudjoud ; Kellou, Sabah ; Medjroubi, Mohamed larbi ; Mili, Assia ; Aimene, Nadjet ; Boudjada, Ali

Journal of molecular structure, 2024-12, Vol.1317, p.139090, Article 139090 [Periódico revisado por pares]

Elsevier B.V

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5
Design and synthesis of a new pyrazole-naphthalene Schiff base: Al3+recognition, DNA binding studies and theoretical calculations
Design and synthesis of a new pyrazole-naphthalene Schiff base: Al3+recognition, DNA binding studies and theoretical calculations
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Design and synthesis of a new pyrazole-naphthalene Schiff base: Al3+recognition, DNA binding studies and theoretical calculations

Pang, Yanling ; Long, Xinshu ; Jin, Xiaomin ; Meng, Desu ; Duan, Shengxia ; Liu, Jian ; Li, Jiaxing

Journal of molecular structure, 2024-12, Vol.1317, p.139095, Article 139095 [Periódico revisado por pares]

Elsevier B.V

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6
Pharmacologically important tetraaza macrocyclic Schiff base complexes of Zn(II), Cu(II) and Co(II): Synthesis, characterization, DFT studies, molecular docking and in vitro anti-bacterial and anti-cancer studies
Pharmacologically important tetraaza macrocyclic Schiff base complexes of Zn(II), Cu(II) and Co(II): Synthesis, characterization, DFT studies, molecular docking and in vitro anti-bacterial and anti-cancer studies
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Pharmacologically important tetraaza macrocyclic Schiff base complexes of Zn(II), Cu(II) and Co(II): Synthesis, characterization, DFT studies, molecular docking and in vitro anti-bacterial and anti-cancer studies

Yadav, Monika ; Yadav, Deepak ; Kansal, Shubhangi ; Angrup, Archana ; Taneja, Neelam ; Singh, Dharam Pal ; Kapoor, Jitander Kumar

Journal of molecular structure, 2024-12, Vol.1317, p.139078, Article 139078 [Periódico revisado por pares]

Elsevier B.V

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7
Phenolic compounds from the stems of Zanthoxylum piperitum and their inhibition of β-glucuronidase: Enzyme kinetics, molecular docking, and molecular dynamics analysis
Phenolic compounds from the stems of Zanthoxylum piperitum and their inhibition of β-glucuronidase: Enzyme kinetics, molecular docking, and molecular dynamics analysis
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Phenolic compounds from the stems of Zanthoxylum piperitum and their inhibition of β-glucuronidase: Enzyme kinetics, molecular docking, and molecular dynamics analysis

Yang, Seo Young ; Phong, Nguyen Viet

Journal of molecular structure, 2024-12, Vol.1317, p.139117, Article 139117 [Periódico revisado por pares]

Elsevier B.V

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8
Effect of variation of substitution groups attached on benzoxazole ligands on relaxation dynamics of a family of nona-coordinate mononuclear dysprosium zero-field single-molecule magnets
Effect of variation of substitution groups attached on benzoxazole ligands on relaxation dynamics of a family of nona-coordinate mononuclear dysprosium zero-field single-molecule magnets
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Effect of variation of substitution groups attached on benzoxazole ligands on relaxation dynamics of a family of nona-coordinate mononuclear dysprosium zero-field single-molecule magnets

Niu, Bianying ; Li, Xuexue ; Rana, Rajanikanta ; Zhang, Jintao ; Chen, Shirui ; Ke, Hongshan ; Sun, Lin ; Xie, Gang ; Chen, Sanping ; Rajaraman, Gopalan

Journal of molecular structure, 2024-12, Vol.1317, p.139115, Article 139115 [Periódico revisado por pares]

Elsevier B.V

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9
Synthesis of 4-(3-(1-substituted/unsubstituted-phenyl-1H-1,2,3-triazole-4-yl)propoxy)benzaldehydes: In vitro antimicrobial, antimalarial activities and In silico docking study
Synthesis of 4-(3-(1-substituted/unsubstituted-phenyl-1H-1,2,3-triazole-4-yl)propoxy)benzaldehydes: In vitro antimicrobial, antimalarial activities and In silico docking study
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Synthesis of 4-(3-(1-substituted/unsubstituted-phenyl-1H-1,2,3-triazole-4-yl)propoxy)benzaldehydes: In vitro antimicrobial, antimalarial activities and In silico docking study

Al-Salehi, Mohammed A. ; Parmar, Mehul P. ; Rajani, Dhanji P. ; Patel, Hitendra M. ; Trivedi, Jignesh H.

Journal of molecular structure, 2024-12, Vol.1317, p.139006, Article 139006 [Periódico revisado por pares]

Elsevier B.V

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10
A new Thiadiazole-triazine derivative: Structural investigation, DFT studies, ADME-T analysis and SARS-CoV-2 activity by docking simulation
A new Thiadiazole-triazine derivative: Structural investigation, DFT studies, ADME-T analysis and SARS-CoV-2 activity by docking simulation
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A new Thiadiazole-triazine derivative: Structural investigation, DFT studies, ADME-T analysis and SARS-CoV-2 activity by docking simulation

T․ N․, Lohith ; Chandra ; B․ H․, Gayathri ; Kumar, Shamantha ; C․ M․, Shivaprasad ; K․, Divya ; M․ A․, Sridhar ; M․, Mahendra

Journal of molecular structure, 2024-12, Vol.1317, p.139133, Article 139133 [Periódico revisado por pares]

Elsevier B.V

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