Ataualpa Albert Carmo Braga (Ataualpa A C Braga)

ResearcherID Scopus Author ID ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 42

Top Venues

RSC advances

ACS omega

Physical chemistry chemical physics : PCCP

Polymers

Universidade de São Paulo

Universidade Estadual de Campinas (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Universidade de São Paulo Aug 01 2012

Brazil

Assistant Professor :: Institute of Chemistry

Education History

Universidade Estadual de Campinas

Brazil

PHD :: Institute of Chemistry

Publications

Muhammad Khalid, Shahzad Murtaza, Khansa Gull, Saba Abid, Muhammad Imran, Ataualpa Albert Carmo Braga
Influence of acceptors on the optical nonlinearity of 5 H -4-oxa-1,6,9-trithia-cyclopenta[ b ]-as-indacene-based chromophores with a push-pull assembly: a DFT approach. RSC advances 14 (2) (2024)
Iqra Shafiq, Muhammad Khalid, Gul Maria, Nadeem Raza, Ataualpa Albert Carmo Braga, Saifullah Bullo, Mohamed Khairy
Use of benzothiophene ring to improve the photovoltaic efficacy of cyanopyridinone-based organic chromophores: a DFT study. RSC advances 14 (18) (2024)
Muhammad Khalid, Noor Fatima, Muhammad Arshad, Muhammad Adeel, Ataualpa Albert Carmo Braga, Sarfraz Ahmed
Unveiling the influence of end-capped acceptors modification on photovoltaic properties of non-fullerene fused ring compounds: a DFT/TD-DFT study. RSC advances 14 (29) (2024)
Muhammad Khalid, Noor Fatima, Muhammad Arshad, Muhammad Adeel, Ataualpa Albert Carmo Braga, Sarfraz Ahmed
Unveiling the influence of end-capped acceptors modification on photovoltaic properties of non-fullerene fused ring compounds: a DFT/TD-DFT study. RSC advances 14 (29) (2024)
Iqra Shafiq, Muhammad Khalid, Gul Maria, Nadeem Raza, Ataualpa Albert Carmo Braga, Saifullah Bullo, Mohamed Khairy
Use of benzothiophene ring to improve the photovoltaic efficacy of cyanopyridinone-based organic chromophores: a DFT study. RSC advances 14 (18) (2024)
Iqra Shafiq, Muhammad Khalid, Gul Maria, Nadeem Raza, Ataualpa Albert Carmo Braga, Saifullah Bullo, Mohamed Khairy
Use of benzothiophene ring to improve the photovoltaic efficacy of cyanopyridinone-based organic chromophores: a DFT study. RSC advances 14 (18) (2024)
Muhammad Khalid, Shahzad Murtaza, Khansa Gull, Saba Abid, Muhammad Imran, Ataualpa Albert Carmo Braga
Influence of acceptors on the optical nonlinearity of 5 H -4-oxa-1,6,9-trithia-cyclopenta[ b ]-as-indacene-based chromophores with a push-pull assembly: a DFT approach. RSC advances 14 (2) (2024)
Marcelo T de Oliveira, Júlia M A Alves, Natália L Vrech, Ataualpa Albert Carmo Braga, Cristina A Barboza
A comprehensive benchmark investigation of quantum chemical methods for carbocations. Physical chemistry chemical physics : PCCP 25 (3) (2023)
Rima D Alharthy, Nadeem Ahmed, Saman Mubarak, Muhammad Yaqub, Muhammad Khalid, Iqra Shafiq, Muhammad Adnan Asghar, Ataualpa Albert Carmo Braga, Zahid Shafiq
Design, Synthesis, and Density Functional Theory Studies of Indole Hydrazones as Colorimetric "Naked Eye" Sensors for F Ions. ACS omega 8 (15) (2023)
Muhammad Nadeem Arshad, Iqra Shafiq, Muhammad Khalid, Mohammad Asad, Abdullah Mohammed Asiri, Maha M Alotaibi, Ataualpa Albert Carmo Braga, Ahmad Husain, Khalid A Alamry
Enhancing the Photovoltaic Properties via Incorporation of Selenophene Units in Organic Chromophores with A 2 -π 2 -A 1 -π 1 -A 2 Configuration: A DFT-Based Exploration. Polymers 15 (6) (2023)
Saba Abid, Muhammad Khalid, Muhammad Sagir, Muhammad Imran, Ataualpa Albert Carmo Braga, Suvash Chandra Ojha
Exploration of nonlinear optical enhancement in acceptor-π-donor indacenodithiophene based derivatives via structural variations: a DFT approach. RSC advances 13 (40) (2023)
Muhammad Sagir, Kalsoom Mushtaq, Muhammad Khalid, Mashal Khan, Muhammad Bilal Tahir, Ataualpa Albert Carmo Braga
Exploration of linear and third-order nonlinear optical properties for donor-π-linker-acceptor chromophores derived from ATT-2 based non-fullerene molecule. RSC advances 13 (45) (2023)
Marcelo T de Oliveira, Júlia M A Alves, Natália L Vrech, Ataualpa Albert Carmo Braga, Cristina A Barboza
A comprehensive benchmark investigation of quantum chemical methods for carbocations. Physical chemistry chemical physics : PCCP 25 (3) (2023)
Rima D Alharthy, Nadeem Ahmed, Saman Mubarak, Muhammad Yaqub, Muhammad Khalid, Iqra Shafiq, Muhammad Adnan Asghar, Ataualpa Albert Carmo Braga, Zahid Shafiq
Design, Synthesis, and Density Functional Theory Studies of Indole Hydrazones as Colorimetric "Naked Eye" Sensors for F Ions. ACS omega 8 (15) (2023)
Rima D Alharthy, Nadeem Ahmed, Saman Mubarak, Muhammad Yaqub, Muhammad Khalid, Iqra Shafiq, Muhammad Adnan Asghar, Ataualpa Albert Carmo Braga, Zahid Shafiq
Design, Synthesis, and Density Functional Theory Studies of Indole Hydrazones as Colorimetric "Naked Eye" Sensors for F Ions. ACS omega 8 (15) (2023)
Muhammad Nadeem Arshad, Iqra Shafiq, Muhammad Khalid, Mohammad Asad, Abdullah Mohammed Asiri, Maha M Alotaibi, Ataualpa Albert Carmo Braga, Ahmad Husain, Khalid A Alamry
Enhancing the Photovoltaic Properties via Incorporation of Selenophene Units in Organic Chromophores with A 2 -π 2 -A 1 -π 1 -A 2 Configuration: A DFT-Based Exploration. Polymers 15 (6) (2023)
Rima D Alharthy, Nadeem Ahmed, Saman Mubarak, Muhammad Yaqub, Muhammad Khalid, Iqra Shafiq, Muhammad Adnan Asghar, Ataualpa Albert Carmo Braga, Zahid Shafiq
Design, Synthesis, and Density Functional Theory Studies of Indole Hydrazones as Colorimetric "Naked Eye" Sensors for F Ions. ACS omega 8 (15) (2023)
Bilal Ahmad Khan, Syeda Shamila Hamdani, Muhammad Khalid, Muhammad Ashfaq, Khurram Shahzad Munawar, Muhammad Nawaz Tahir, Ataualpa Albert Carmo Braga, Ahmed Mahmoud Shawky, Alaa M Alqahtani, Mohammad A S Abourehab, Gamal A Gabr, Mahmoud A A Ibrahim, Peter A Sidhom
Exploring Probenecid Derived 1,3,4-Oxadiazole-Phthalimide Hybrid as α-Amylase Inhibitor: Synthesis, Structural Investigation, and Molecular Modeling. Pharmaceuticals (Basel, Switzerland) 16 (3) (2023)
Muhammad Nadeem Arshad, Iqra Shafiq, Muhammad Khalid, Mohammad Asad, Abdullah Mohammed Asiri, Maha M Alotaibi, Ataualpa Albert Carmo Braga, Ahmad Husain, Khalid A Alamry
Enhancing the Photovoltaic Properties via Incorporation of Selenophene Units in Organic Chromophores with A 2 -π 2 -A 1 -π 1 -A 2 Configuration: A DFT-Based Exploration. Polymers 15 (6) (2023)
Iqra Shafiq, Ayesha Mustafa, Romaisa Zahid, Rabia Baby, Sarfraz Ahmed, Muhammad Adnan Asghar, Tansir Ahamad, Manawwer Alam, Ataualpa Albert Carmo Braga, Suvash Chandra Ojha
Theoretical Perspective toward Designing of 5-Methylbenzo [1,2- b :3,4- b ':6,5- b ″] trithiophene-Based Nonlinear Optical Compounds with Extended Acceptors. ACS omega 8 (42) (2023)
Bilal Ahmad Khan, Syeda Shamila Hamdani, Muhammad Khalid, Muhammad Ashfaq, Khurram Shahzad Munawar, Muhammad Nawaz Tahir, Ataualpa Albert Carmo Braga, Ahmed Mahmoud Shawky, Alaa M Alqahtani, Mohammad A S Abourehab, Gamal A Gabr, Mahmoud A A Ibrahim, Peter A Sidhom
Exploring Probenecid Derived 1,3,4-Oxadiazole-Phthalimide Hybrid as α-Amylase Inhibitor: Synthesis, Structural Investigation, and Molecular Modeling. Pharmaceuticals (Basel, Switzerland) 16 (3) (2023)
Bilal Ahmad Khan, Syeda Shamila Hamdani, Muhammad Khalid, Muhammad Ashfaq, Khurram Shahzad Munawar, Muhammad Nawaz Tahir, Ataualpa Albert Carmo Braga, Ahmed Mahmoud Shawky, Alaa M Alqahtani, Mohammad A S Abourehab, Gamal A Gabr, Mahmoud A A Ibrahim, Peter A Sidhom
Exploring Probenecid Derived 1,3,4-Oxadiazole-Phthalimide Hybrid as α-Amylase Inhibitor: Synthesis, Structural Investigation, and Molecular Modeling. Pharmaceuticals (Basel, Switzerland) 16 (3) (2023)
Nadia Arif, Zahid Shafiq, Sajida Noureen, Muhammad Khalid, Abida Ashraf, Muhammad Yaqub, Shabana Irshad, Muhammad Usman Khan, Muhammad Nadeem Arshad, Ataualpa Albert Carmo Braga, Ahmed H Ragab, Saedah R Al-Mhyawi
Synthesis, spectroscopic, SC-XRD/DFT and non-linear optical (NLO) properties of chromene derivatives. RSC advances 13 (1) (2022)
Muhammad Khalid, Salma Naz, Khalid Mahmood, Shabbir Hussain, Ataualpa Albert Carmo Braga, Riaz Hussain, Ahmed H Ragab, Saedah R Al-Mhyawi
First theoretical probe for efficient enhancement of optical nonlinearity via structural modifications into phenylene based D-π-A configured molecules. RSC advances 12 (48) (2022)
Muhammad Khalid, Wajeeha Anwer, Muhammad Adeel, Zahid Shafiq, Ataualpa Albert Carmo Braga, Mohammed A Assiri, Muhammad Imran, Aman Ullah
Exploration of the interesting photovoltaic behavior of the fused benzothiophene dioxide moiety as a core donor with modification in acceptors for high-efficacy organic solar cells. RSC advances 12 (45) (2022)
Lucas W de Lima, Sara Figueirêdo de Alcântara Morais, Ataualpa Albert Carmo Braga
Understanding the reaction mechanism of the CO 2 and cyclohexene oxide copolymerization catalyzed by zinc(II) and magnesium(II) catalysts: a DFT approach. Journal of molecular modeling 28 (10) (2022)
Muhammad Khalid, Muhammad Nadeem Arshad, Shahzad Murtaza, Iqra Shafiq, Muhammad Haroon, Abdullah Mohammed Asiri, Sara Figueirêdo de AlcântaraMorais, Ataualpa Albert Carmo Braga
Enriching NLO efficacy via designing non-fullerene molecules with the modification of acceptor moieties into ICIF2F: an emerging theoretical approach. RSC advances 12 (21) (2022)
Rabia Farooq, Zahra Batool, Muhammad Khalid, Muhammad Usman Khan, Ataualpa Albert Carmo Braga, Ahmed H Ragab, Saedah R Al-Mhyawi, Gulzar Muhammad, Zahid Shafiq
Synthesis, nonlinear optical analysis and DFT studies of D-π-D and A-π-A configured Schiff bases derived from bis-phenylenediamine. RSC advances 12 (50) (2022)
Nadia Arif, Zahid Shafiq, Sajida Noureen, Muhammad Khalid, Abida Ashraf, Muhammad Yaqub, Shabana Irshad, Muhammad Usman Khan, Muhammad Nadeem Arshad, Ataualpa Albert Carmo Braga, Ahmed H Ragab, Saedah R Al-Mhyawi
Synthesis, spectroscopic, SC-XRD/DFT and non-linear optical (NLO) properties of chromene derivatives. RSC advances 13 (1) (2022)
Muhammad Nadeem Arshad, Muhammad Khalid, Mohammad Asad, Ataualpa Albert Carmo Braga, Abdullah Mohammed Asiri, Maha M Alotaibi
Influence of Peripheral Modification of Electron Acceptors in Nonfullerene (O-IDTBR1)-Based Derivatives on Nonlinear Optical Response: DFT/TDDFT Study. ACS omega 7 (14) (2022)
Muhammad Nadeem Arshad, Muhammad Khalid, null Ghulam Shabbir, Mohammad Asad, Abdullah Mohammed Asiri, Maha M Alotaibi, Ataualpa Albert Carmo Braga, Ahmad Husain
Donor moieties with D-π-a framing modulated electronic and nonlinear optical properties for non-fullerene-based chromophores. RSC advances 12 (7) (2022)
Marcelo T de Oliveira, Júlia M A Alves, Natália L Vrech, Ataualpa Albert Carmo Braga, Cristina A Barboza
A comprehensive benchmark investigation of quantum chemical methods for carbocations. Physical chemistry chemical physics : PCCP (2022)
Muhammad Imran, Muhammad Khalid, Rifat Jawaria, Asif Ali, Muhammad Adnan Asghar, Zahid Shafiq, Mohammed A Assiri, Hafiza Munazza Lodhi, Ataualpa Albert Carmo Braga
Exploration of Photophysical and Nonlinear Properties of Salicylaldehyde-Based Functionalized Materials: A Facile Synthetic and DFT Approach. ACS omega 6 (49) (2021)
Odette Concepcion, Akbar Ali, Muhammad Khalid, Alexander F de la Torre, Muhammad Usman Khan, Abdul Rauf Raza, Ghulam Mustafa Kamal, Muhammad Fayyaz Ur Rehman, Mohammed Mujahid Alam, Muhammad Imran, Ataualpa Albert Carmo Braga, Mariano W Pertino
Facile Synthesis of Diversely Functionalized Peptoids, Spectroscopic Characterization, and DFT-Based Nonlinear Optical Exploration. ACS omega 6 (40) (2021)
Rosa A S Couto, Constantino Coelho, Bassim Mounssef, Sara F de A Morais, Camila D Lima, Wallans Torres Pio Dos Santos, Felix Carvalho, Cecília Maria Pereira Rodrigues, Ataualpa Albert Carmo Braga, Luís Moreira Gonçalves, M Beatriz Quinaz
3,4-Methylenedioxypyrovalerone (MDPV) Sensing Based on Electropolymerized Molecularly Imprinted Polymers on Silver Nanoparticles and Carboxylated Multi-Walled Carbon Nanotubes. Nanomaterials (Basel, Switzerland) 11 (2) (2021)
Marcelo T de Oliveira, Júlia M A Alves, Ataualpa Albert Carmo Braga, David J D Wilson, Cristina A Barboza
Do Double-Hybrid Exchange-Correlation Functionals Provide Accurate Chemical Shifts? A Benchmark Assessment for Proton NMR. Journal of chemical theory and computation 17 (11) (2021)
Muhammad Khalid, Rifat Jawaria, Muhammad Usman Khan, Ataualpa Albert Carmo Braga, Zahid Shafiq, Muhammad Imran, Hafiz Muhammad Ahmad Zafar, Ahmad Irfan
An Efficient Synthesis, Spectroscopic Characterization, and Optical Nonlinearity Response of Novel Salicylaldehyde Thiosemicarbazone Derivatives. ACS omega 6 (24) (2021)
Muhammad Usman Khan, Javed Iqbal, Muhammad Khalid, Riaz Hussain, Ataualpa Albert Carmo Braga, Munawar Hussain, Shabbir Muhammad
Designing triazatruxene-based donor materials with promising photovoltaic parameters for organic solar cells. RSC advances 9 (45) (2019)
Abida Ashraf, Muhammad Khalid, Muhammad Nawaz Tahir, Muhammad Yaqub, Muhammad Moazzam Naseer, Ghulam Mustafa Kamal, Saifullah Bullo, Ataualpa Albert Carmo Braga, Zahid Shafiq, Waqar Rauf
A facile and concise route to (hydroxybenzoyl)pyrido[2,3- d ]pyrimidine heterocycle derivatives: synthesis, and structural, spectral and computational exploration. RSC advances 9 (59) (2019)
Maria Rosana E da Silva, Thomas Auvray, Baptiste Laramée-Milette, Maurício P Franco, Ataualpa Albert Carmo Braga, Henrique Eisi Toma, Garry S Hanan
Unusual Photooxidation of S-Bonded Mercaptopyridine in a Mixed Ligand Ruthenium(II) Complex with Terpyridine and Bipyridine Ligands. Inorganic chemistry 57 (9) (2018)
Vitor H Menezes da Silva, Ana Paula de Lima Batista, Oscar Navarro, Ataualpa Albert Carmo Braga
Theoretical study on selectivity trends in (N-heterocyclic carbene)-Pd catalyzed mizoroki-heck reactions: Exploring density functionals methods and molecular models. Journal of computational chemistry 38 (28) (2017)
Nga Kim T Ho, Beate Neumann, Hans-Georg Stammler, Vitor H Menezes da Silva, Daniel G Watanabe, Ataualpa Albert Carmo Braga, Rajendra S Ghadwal
Nickel-catalysed direct C2-arylation of N-heterocyclic carbenes. Dalton transactions (Cambridge, England : 2003) 46 (36) (2017)

Ataualpa Albert Carmo Braga.css-eqlu8i{font-size:small;padding-left:4px;} (Ataualpa A C Braga)

Publication Activity (10 Years)

Top Topics

Top Venues

Ataualpa Albert Carmo Braga (Ataualpa A C Braga)