Result Number | Material Type | Add to My Shelf Action | Record Details and Options |
---|---|---|---|
1 |
Material Type: Artigo
|
![]() |
Amyloid β Protein and Alzheimer’s Disease: When Computer Simulations Complement Experimental StudiesNasica-Labouze, Jessica ; Nguyen, Phuong H ; Sterpone, Fabio ; Berthoumieu, Olivia ; Buchete, Nicolae-Viorel ; Coté, Sébastien ; De Simone, Alfonso ; Doig, Andrew J ; Faller, Peter ; Garcia, Angel ; Laio, Alessandro ; Li, Mai Suan ; Melchionna, Simone ; Mousseau, Normand ; Mu, Yuguang ; Paravastu, Anant ; Pasquali, Samuela ; Rosenman, David J ; Strodel, Birgit ; Tarus, Bogdan ; Viles, John H ; Zhang, Tong ; Wang, Chunyu ; Derreumaux, PhilippeChemical reviews, 2015-05, Vol.115 (9), p.3518-3563 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
2 |
Material Type: Livro
|
![]() |
Computational chemistry workbook : learning through examplesThomas. Heine Jan-Ole Joswig; Achim GelessusWeinheim : Wiley-VCH 2009Localização: CQ - Conjunto das Químicas (540.02854 H468c CD-ROM ) e outros locais(Acessar) |
3 |
Material Type: Artigo
|
![]() |
Computer Simulation of Three-Phase Equilibria for Some Water/n‑Alkane Binary SystemsElías-Domínguez, Arturo ; Alvarado, Juan F. J. ; Pérez-Villaseñor, Fernando ; Ortíz-Arroyo, Arturo ; Castro-Agüero, Ángel ; López-Medina, Friné ; Medina-Velázquez, Dulce Y.The journal of physical chemistry. B, 2024-05, Vol.128 (20), p.5044-5054 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
4 |
Material Type: Livro
|
![]() |
Computational chemistry introduction to the theory and applications of molecular and quantum mechanicsErrol LewarsBoston Kluwer Academic Publishers 2004, c2003Localização: CQ - Conjunto das Químicas (540.02854 L669c ) e outros locais(Acessar) |
5 |
Material Type: Livro
|
![]() |
The basics of theoretical and computational chemistryBernd M Rode (Bernd Michael) Thomas S Hofer; Michael D KuglerWeinheim Germany Wiley-VCH Chichester, England Wiley, distributor c2007Localização: CQ - Conjunto das Químicas (540.02854 R687b )(Acessar) |
6 |
Material Type: Artigo
|
![]() |
Gender difference in students' performance in chemistry - can computer simulation bridge the gap?Oladejo, Adekunle I. ; Nwaboku, Nwabuno C. ; Okebukola, Peter A. ; Ademola, Ibukunolu A.Research in science & technological education, 2023-07, Vol.41 (3), p.1031-1050 [Periódico revisado por pares]Abingdon: RoutledgeTexto completo disponível |
7 |
Material Type: Artigo
|
![]() |
A hybrid neutron diffraction and computer simulation study on the solvation of N-methylformamide in dimethylsulfoxideCordeiro, João M M ; Soper, Alan KThe Journal of chemical physics, 2013-01, Vol.138 (4), p.044502-044502 [Periódico revisado por pares]United StatesTexto completo disponível |
8 |
Material Type: Artigo
|
![]() |
Computer Simulation to Rationalize “Rational” Engineering of Glycoside Hydrolases and GlycosyltransferasesCoines, Joan ; Cuxart, Irene ; Teze, David ; Rovira, CarmeThe journal of physical chemistry. B, 2022-02, Vol.126 (4), p.802-812 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
9 |
Material Type: Artigo
|
![]() |
Tetrameric Charge-Zipper Assembly of the TisB Peptide in MembranesComputer Simulation and ExperimentSchneider, Violetta ; Wadhwani, Parvesh ; Reichert, Johannes ; Bürck, Jochen ; Elstner, Marcus ; Ulrich, Anne S ; Kubař, TomášThe journal of physical chemistry. B, 2019-02, Vol.123 (8), p.1770-1779 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
10 |
Material Type: Artigo
|
![]() |
Application of Graphene as a Nanoindenter Interacting with Phospholipid MembranesComputer Simulation StudyRaczyński, Przemysław ; Górny, Krzysztof ; Bełdowski, Piotr ; Yuvan, Steven ; Dendzik, ZbigniewThe journal of physical chemistry. B, 2020-07, Vol.124 (30), p.6592-6602 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |