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1-Naphthols as components for multifunctional material systems (MFMS): the molecular modeling approach
1-Naphthols as components for multifunctional material systems (MFMS): the molecular modeling approach
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1-Naphthols as components for multifunctional material systems (MFMS): the molecular modeling approach

Radkowska, Ilona ; Bragiel, Piotr

Structural chemistry, 2021-02, Vol.32 (1), p.259-273 [Periódico revisado por pares]

New York: Springer US

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2
2,3′-Diamino-4,4′-stilbenedicarboxylic acid sensitizer for dye-sensitized solar cells: quantum chemical investigations
2,3′-Diamino-4,4′-stilbenedicarboxylic acid sensitizer for dye-sensitized solar cells: quantum chemical investigations
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2,3′-Diamino-4,4′-stilbenedicarboxylic acid sensitizer for dye-sensitized solar cells: quantum chemical investigations

Senthilkumar, Palanivel ; Nithya, Chandrasekaran ; Anbarasan, Ponnusamy Munusamy

Journal of molecular modeling, 2013-10, Vol.19 (10), p.4561-4573 [Periódico revisado por pares]

Berlin/Heidelberg: Springer Berlin Heidelberg

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3
Ab initio Hartree-Fock calculations on linear and second-order nonlinear optical properties of new acridine-benzothiazolylamine chromophores
Ab initio Hartree-Fock calculations on linear and second-order nonlinear optical properties of new acridine-benzothiazolylamine chromophores
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Ab initio Hartree-Fock calculations on linear and second-order nonlinear optical properties of new acridine-benzothiazolylamine chromophores

Avcı, Davut ; Cömert, Hüseyin ; Atalay, Yusuf

Journal of molecular modeling, 2008-02, Vol.14 (2), p.161-169 [Periódico revisado por pares]

Berlin/Heidelberg: Springer-Verlag

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4
Ab initio study of solvent-dependent one-, two- and three-photon absorption properties of PRODAN-based chemo-sensors
Ab initio study of solvent-dependent one-, two- and three-photon absorption properties of PRODAN-based chemo-sensors
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Ab initio study of solvent-dependent one-, two- and three-photon absorption properties of PRODAN-based chemo-sensors

ALAM, MD MEHBOOB ; CHATTOPADHYAYA, MAUSUMI

Journal of chemical sciences (Bangalore, India), 2014, Vol.126 (4), p.1217-1226 [Periódico revisado por pares]

India: Springer India

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5
Ab initio study on the six lowest energy conformers of iso-octane: conformational stability, barriers to internal rotation, natural bond orbital and first-order hyperpolarizability analyses, UV and NMR predictions, spectral temperature sensitivity, and scaled vibrational assignment
Ab initio study on the six lowest energy conformers of iso-octane: conformational stability, barriers to internal rotation, natural bond orbital and first-order hyperpolarizability analyses, UV and NMR predictions, spectral temperature sensitivity, and scaled vibrational assignment
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Ab initio study on the six lowest energy conformers of iso-octane: conformational stability, barriers to internal rotation, natural bond orbital and first-order hyperpolarizability analyses, UV and NMR predictions, spectral temperature sensitivity, and scaled vibrational assignment

Hachim, Mouhi Eddine ; Sadik, Karima ; Byadi, Said ; Van Alsenoy, Christian ; Aboulmouhajir, Aziz

Journal of molecular modeling, 2019-08, Vol.25 (8), p.254-254, Article 254 [Periódico revisado por pares]

Berlin/Heidelberg: Springer Berlin Heidelberg

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6
Accelerating Super-Resolution and Visual Task Analysis in Medical Images
Accelerating Super-Resolution and Visual Task Analysis in Medical Images
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Accelerating Super-Resolution and Visual Task Analysis in Medical Images

Zamzmi, Ghada ; Rajaraman, Sivaramakrishnan ; Antani, Sameer

Applied sciences, 2020-06, Vol.10 (12), p.4282 [Periódico revisado por pares]

Basel: MDPI AG

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7
Acceptor tuning effect on TPA-based organic efficient sensitizers for optoelectronic applications—quantum chemical investigation
Acceptor tuning effect on TPA-based organic efficient sensitizers for optoelectronic applications—quantum chemical investigation
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Acceptor tuning effect on TPA-based organic efficient sensitizers for optoelectronic applications—quantum chemical investigation

Arunkumar, Ammasi ; Shanavas, Shajahan ; Acevedo, Roberto ; Anbarasan, Ponnusamy Munusamy

Structural chemistry, 2020-06, Vol.31 (3), p.1029-1042 [Periódico revisado por pares]

New York: Springer US

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8
Achieving Semantic Consistency for Multilingual Sentence Representation Using an Explainable Machine Natural Language Parser (MParser)
Achieving Semantic Consistency for Multilingual Sentence Representation Using an Explainable Machine Natural Language Parser (MParser)
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Achieving Semantic Consistency for Multilingual Sentence Representation Using an Explainable Machine Natural Language Parser (MParser)

Qin, Peng ; Tan, Weiming ; Guo, Jingzhi ; Shen, Bingqing ; Tang, Qian

Applied sciences, 2021-12, Vol.11 (24), p.11699 [Periódico revisado por pares]

Basel: MDPI AG

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9
Advanced Coatings of Polyureas for Building Blast Protection: Physical, Chemical, Thermal and Mechanical Characterization
Advanced Coatings of Polyureas for Building Blast Protection: Physical, Chemical, Thermal and Mechanical Characterization
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Advanced Coatings of Polyureas for Building Blast Protection: Physical, Chemical, Thermal and Mechanical Characterization

Leite, Fernando ; Mota, Carlos ; Bessa, João ; Cunha, Fernando ; Fangueiro, Raul ; Gomes, Gabriel ; Mingote, José

Applied sciences, 2022-11, Vol.12 (21), p.10879 [Periódico revisado por pares]

Basel: MDPI AG

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10
Advanced experimental methods toward understanding biophysicochemical interactions of interfacial biomolecules by using sum frequency generation vibrational spectroscopy
Advanced experimental methods toward understanding biophysicochemical interactions of interfacial biomolecules by using sum frequency generation vibrational spectroscopy
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Advanced experimental methods toward understanding biophysicochemical interactions of interfacial biomolecules by using sum frequency generation vibrational spectroscopy

Ye, ShuJi ; Luo, Yi

Science China. Chemistry, 2014-12, Vol.57 (12), p.1646-1661 [Periódico revisado por pares]

Heidelberg: Science China Press

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