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Bruno A. C. Horta

swiss federal institutes of technology domain

23H指数
86论文数
1.9K被引数
收录论文 33
发表时间
Comparison of the United- and All-Atom Representations of (Halo)alkanes Based on Two Condensed-Phase Force Fields Optimized against the Same Experimental Data Set
err2022-10-03
err6
errOAAI
errOliveira, Marina P.; Goncalves, Yan M. H.; Gheta, S. Kashef Ol; Rieder, Salome R.; Horta, Bruno A. C.; Huenenberger, Philippe H.
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Are all-atom any better than united-atom force fields for the description of liquid properties of alkanes? 2. A systematic study considering different chain lengths
err2022-05-01
err7
PREAI
errda Silva, Guilherme C. Q.; Silva, Gabriel M.; Tavares, Frederico W.; Fleming, Felipe P.; Horta, Bruno A. C.
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Simultaneous parametrization of torsional and third-neighbor interaction terms in force-field development: The LLS-SC algorithm
err2022-02-08
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PREAI
errGoncalves, Yan M. H.; Kashefolgheta, Sadra; Oliveira, Marina P.; Hunenberger, Philippe H.; Horta, Bruno A. C.
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Experimental and theoretical studies of isonitrosoacetanilides derivatives as corrosion inhibitors for mild steel in 1 mol L-1 HCl
err2021-12-01
err14
PREAI
errde Sousa Rodrigues, Francisco Alexandre; Henriques Goncalves, Yan Marques; Cautiero Horta, Bruno Araujo; Santos, Iara da Silva; Silva, Barbara, V; D'Elia, Eliane
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pyPolyBuilder: Automated Preparation of Molecular Topologies and Initial Configurations for Molecular Dynamics Simulations of Arbitrary Supramolecules
err2021-04-05
err9
PREAI
errRamos, Mayk C.; Quoika, Patrick K.; Horta, Vitor A. C.; Dias, Douglas M.; Costa, Elan G.; do Amaral, Jorge L. M.; Ribeiro, Luigi M.; Liedl, Klaus R.; Horta, Bruno A. C.
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Effects of paraffin, fatty acid and long alkyl chain phenol on the solidification of n-hexadecane under harsh subcooling condition: A molecular dynamics simulation study
errFUEL
IF7.5
err2021-02-01
err6
PREAI
errda Silva, Guilherme C. Q.; Oliveira, Fernanda G.; de Souza, Wladmir F.; de Oliveira, Marcia C. K.; Esteves, Pierre M.; Horta, Bruno A. C.
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Emission redshift in DCM2-doped Alq3 caused by nonlinear Stark shifts and Forster-mediated exciton diffusion
err2020-12-01
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errOAAI
errCandiotto, Graziani; Giro, Ronaldo; Horta, Bruno A. C.; Rosselli, Flavia P.; de Cicco, Marcelo; Achete, Carlos A.; Cremona, Marco; Capaz, Rodrigo B.
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Systematic Optimization of a Fragment-Based Force Field against Experimental Pure-Liquid Properties Considering Large Compound Families: Application to Saturated Haloalkanes
err2020-11-24
err24
errOAAI
errOliveira, Marina P.; Andrey, Maurice; Rieder, Salome R.; Kern, Leyla; Hahn, David F.; Riniker, Sereina; Horta, Bruno A. C.; Huenenberger, Philippe H.
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Evaluating Classical Force Fields against Experimental Cross-Solvation Free Energies
err2020-11-04
err34
errOAAI
errKashefolgheta, Sadra; Oliveira, Marina P.; Rieder, Salome R.; Horta, Bruno A. C.; Acree, William E., Jr.; Hunenberger, Philippe H.
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Effects of additives on oil displacement in nanocapillaries: A mesoscale simulation study添加剂对纳米毛细管驱油的影响: 中尺度模拟研究
err2020-08-01
err4
errOAAI
errda Silva, Guilherme C. Q.; Giro, Ronaldo; Horta, Bruno A. C.; Neumann, Rodrigo F.; Engel, Michael; Steiner, Mathias B.
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gem-Dichlorocyclopropanation of Dicarbonyl Derivatives
err2019-12-03
err6
PREAI
errBatista, Gabriel M. F.; De Castro, Pedro P.; Carpanez, Arthur G.; Horta, Bruno A. C.; Amarante, Giovanni W.
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New Polymorph Form of Dexamethasone Acetate
err2018-02-01
err8
PREAI
errda Silva, Ronaldo Pedro; Schuchter Ambrosio, Mateus Felipe; Piovesan, Luciana Almeida; Ramalho Freitas, Maria Clara; Marques de Aguiar, Daniel Lima; Cautiero Horta, Bruno Araujo; Epprecht, Eugenio Kahn; da Silva San Gil, Rosane Aguiar; Visentin, Lorenzo do Canto
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Simulating Bilayers of Nonionic Surfactants with the GROMOS-Compatible 2016H66 Force Field
err2017-09-20
err14
PREAI
errSenac, Caroline; Urbach, Wladimir; Kurtisovski, Erol; Hunenberger, Philippe H.; Horta, Bruno A. C.; Taulier, Nicolas; Fuchs, Patrick F. J.
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