Fernando Nogueira
TitoloCitata daAnno
A primer in density functional theory
C Fiolhais, F Nogueira, MAL Marques
Springer Science & Business Media, 2003
Fundamentals of time-dependent density functional theory
MAL Marques, NT Maitra, FMS Nogueira, EKU Gross, A Rubio
Springer Science & Business Media, 2012
Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems
X Andrade, D Strubbe, U De Giovannini, AH Larsen, MJT Oliveira, ...
Physical Chemistry Chemical Physics 17 (47), 31371-31396, 2015
Time-dependent density-functional theory in massively parallel computer architectures: the octopus project
X Andrade, J Alberdi-Rodriguez, DA Strubbe, MJT Oliveira, F Nogueira, ...
Journal of Physics: Condensed Matter 24 (23), 233202, 2012
Generating relativistic pseudo-potentials with explicit incorporation of semi-core states using APE, the Atomic Pseudo-potentials Engine
MJT Oliveira, F Nogueira
Computer Physics Communications 178 (7), 524-534, 2008
Pattern search methods for user-provided points: Application to molecular geometry problems
P Alberto, F Nogueira, H Rocha, LN Vicente
SIAM Journal on Optimization 14 (4), 1216-1236, 2004
Gerenciamento de riscos ambientais associados a escorregamentos: contribuição às políticas públicas municipais para áreas de ocupação subnormal
FR Nogueira
Universidade Estadual Paulista (UNESP), 2002
Fragment molecular orbital investigation of the role of AMP protonation in firefly luciferase pH-sensitivity
BF Milne, MAL Marques, F Nogueira
Physical Chemistry Chemical Physics 12 (42), 14285-14293, 2010
Transferability of a local pseudopotential based on solid-state electron density
F Nogueira, C Fiolhais, J He, JP Perdew, A Rubio
Journal of Physics: Condensed Matter 8 (3), 287, 1996
Tests of a density-based local pseudopotential for sixteen simple metals
L Pollack, JP Perdew, J He, M Marques, F Nogueira, C Fiolhais
Physical Review B 55 (23), 15544, 1997
On the influence of water on the electronic structure of firefly oxyluciferin anions from absorption spectroscopy of bare and monohydrated ions in vacuo
K Støchkel, CN Hansen, J Houmøller, LM Nielsen, K Anggara, M Linares, ...
Journal of the American Chemical Society 135 (17), 6485-6493, 2013
A tutorial on density functional theory
F Nogueira, A Castro, MAL Marques
A Primer in Density Functional Theory, 218-256, 2003
Accurate color tuning of firefly chromophore by modulation of local polarization electrostatic fields
D Cai, MAL Marques, F Nogueira
The Journal of Physical Chemistry B 115 (2), 329-332, 2010
Nonuniqueness of inverted core‐mantle boundary flows and deviations from tangential geostrophy
MA Pais, O Oliveira, F Nogueira
Journal of Geophysical Research: Solid Earth 109 (B8), 2004
Bioheterojunction effect on fluorescence origin and efficiency improvement of firefly chromophores
D Cai, MAL Marques, BF Milne, F Nogueira
The Journal of Physical Chemistry Letters 1 (19), 2781-2787, 2010
Oxoperoxo Vanadium(V) Complexes of l-Lactic Acid: Density Functional Theory Study of Structure and NMR Chemical Shifts
LLG Justino, ML Ramos, F Nogueira, AJFN Sobral, CFGC Geraldes, ...
Inorganic chemistry 47 (16), 7317-7326, 2008
Trends in the properties and structures of the simple metals from a universal local pseudopotential
F Nogueira, C Fiolhais, JP Perdew
Physical Review B 59 (4), 2570, 1999
Materials design on-the-fly
TFT Cerqueira, R Sarmiento-Pérez, M Amsler, F Nogueira, S Botti, ...
Journal of chemical theory and computation 11 (8), 3955-3960, 2015
Insights into colour-tuning of chlorophyll optical response in green plants
J Jornet-Somoza, J Alberdi-Rodriguez, BF Milne, X Andrade, ...
Physical Chemistry Chemical Physics 17 (40), 26599-26606, 2015
High-throughput search of ternary chalcogenides for p-type transparent electrodes
J Shi, TFT Cerqueira, W Cui, F Nogueira, S Botti, MAL Marques
Scientific reports 7, 43179, 2017
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