Result Number | Material Type | Add to My Shelf Action | Record Details and Options |
---|---|---|---|
1 |
Material Type: Artigo
|
Open Chemistry, JupyterLab, REST, and quantum chemistryHanwell, Marcus D. ; Harris, Chris ; Genova, Alessandro ; Haghighatlari, Mojtaba ; El Khatib, Muammar ; Avery, Patrick ; Hachmann, Johannes ; Jong, Wibe AlbertInternational journal of quantum chemistry, 2021-01, Vol.121 (1), p.n/a [Periódico revisado por pares]Hoboken, USA: John Wiley & Sons, IncTexto completo disponível |
|
2 |
Material Type: Artigo de Congresso
|
Proceedings of the XIV Brazilian Symposium of Theoretical Chemistry prefaceSylvio Canuto Carlos E Bielchowsky; Brazilian Symposium Chemistry 14th 2007 Poços de Caldas, MGInternational Journal of Quantum Chemistry v. 108, n. 13, Sp. Iss, p.2305, 2008Hoboken John Wiley & Sons 2008Acesso online |
|
3 |
Material Type: Artigo
|
Orbital entanglement in quantum chemistryBoguslawski, Katharina ; Tecmer, PawełInternational journal of quantum chemistry, 2015-10, Vol.115 (19), p.1289-1295 [Periódico revisado por pares]Hoboken: Blackwell Publishing LtdTexto completo disponível |
|
4 |
Material Type: Artigo
|
Open Chemistry, JupyterLab, REST, and quantum chemistryHanwell, Marcus D. ; Harris, Chris ; Genova, Alessandro ; Haghighatlari, Mojtaba ; El Khatib, Muammar ; Avery, Patrick ; Hachmann, Johannes ; Jong, Wibe AlbertInternational journal of quantum chemistry, 2020-09, Vol.121 (1) [Periódico revisado por pares]United States: WileyTexto completo disponível |
|
5 |
Material Type: Artigo
|
Jaguar: A high-performance quantum chemistry software program with strengths in life and materials sciencesBochevarov, Art D. ; Harder, Edward ; Hughes, Thomas F. ; Greenwood, Jeremy R. ; Braden, Dale A. ; Philipp, Dean M. ; Rinaldo, David ; Halls, Mathew D. ; Zhang, Jing ; Friesner, Richard A.International journal of quantum chemistry, 2013-09, Vol.113 (18), p.2110-2142 [Periódico revisado por pares]Hoboken: Blackwell Publishing LtdTexto completo disponível |
|
6 |
Material Type: Artigo
|
Fractional paradigms in quantum chemistryMostafanejad, MohammadInternational journal of quantum chemistry, 2021-10, Vol.121 (20), p.n/a [Periódico revisado por pares]Hoboken, USA: John Wiley & Sons, IncTexto completo disponível |
|
7 |
Material Type: Artigo
|
Noncovalent interactions in inorganic supramolecular chemistry based in heavy metals. Quantum chemistry point of viewBarrientos, Lorena ; Miranda‐Rojas, Sebatian ; Mendizabal, FernandoInternational journal of quantum chemistry, 2019-01, Vol.119 (2), p.n/a [Periódico revisado por pares]Hoboken, USA: John Wiley & Sons, IncTexto completo disponível |
|
8 |
Material Type: Artigo
|
Tensor product methods and entanglement optimization for ab initio quantum chemistrySzalay, Szilárd ; Pfeffer, Max ; Murg, Valentin ; Barcza, Gergely ; Verstraete, Frank ; Schneider, Reinhold ; Legeza, ÖrsInternational journal of quantum chemistry, 2015-10, Vol.115 (19), p.1342-1391 [Periódico revisado por pares]Hoboken: Blackwell Publishing LtdTexto completo disponível |
|
9 |
Material Type: Artigo
|
Computational investigation of the structures, properties, and host‐guest chemistry of prism[n]arenesXie, Ju ; Xi, Ziqing ; Yang, Yanwu ; Zhang, Xuecheng ; Yang, Zhenshan ; He, MaoxiaInternational journal of quantum chemistry, 2024-01, Vol.124 (1), p.n/a [Periódico revisado por pares]Hoboken, USA: John Wiley & Sons, IncTexto completo disponível |
|
10 |
Material Type: Revista
|
International Journal of Quantum ChemistryUNITED STATES Wiley.Acesso online. A biblioteca também possui exemplares impressos. |