Tertius Fonseca
Tertius Fonseca
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An efficient statistically converged average configuration for solvent effects
K Coutinho, HC Georg, TL Fonseca, V Ludwig, S Canuto
Chemical physics letters 437 (1-3), 148-152, 2007
A theoretical investigation of electric properties of L-arginine phosphate monohydrate including environment polarization effects
TL Fonseca, JR Sabino, MA Castro, HC Georg
The Journal of chemical physics 133 (14), 144103, 2010
Static polarizabilities of doubly charged polyacetylene oligomers: basis set and electron correlation effects
LN Oliveira, OAV Amaral, MA Castro, TL Fonseca
Chemical physics 289 (2-3), 221-230, 2003
Polarization effects on the electric properties of urea and thiourea molecules in solid phase
OL Santos, TL Fonseca, JR Sabino, HC Georg, MA Castro
The Journal of Chemical Physics 143 (23), 234503, 2015
MP2 static first hyperpolarizability of azo-enaminone isomers
TL Fonseca, HCB De Oliveira, OAV Amaral, MA Castro
Chemical physics letters 413 (4-6), 356-361, 2005
DFT study of third-order nonlinear susceptibility of a chalcone crystal
C Valverde, FAP Osório, TL Fonseca, B Baseia
Chemical Physics Letters 706, 170-174, 2018
Ab initio polarizabilities of polyenic chains with conformational defects
CP de Melo, TL Fonseca
Chemical physics letters 261 (1-2), 28-34, 1996
Theoretical analysis of the hydration of C60 in normal and supercritical conditions
G Colherinhas, TL Fonseca, EE Fileti
Carbon 49 (1), 187-192, 2011
The isotropic nuclear magnetic shielding constants of acetone in supercritical water: A sequential Monte Carlo/quantum mechanics study including solute polarization
TL Fonseca, K Coutinho, S Canuto
The Journal of chemical physics 129 (3), 034502, 2008
Theoretical study of the static first hyperpolarizability of azo-enaminone compounds
HCB De Oliveira, TL Fonseca, MA Castro, OAV Amaral, S Cunha
The Journal of chemical physics 119 (16), 8417-8423, 2003
Hyperpolarizabilities of the methanol molecule: A CCSD calculation including vibrational corrections
AS Dutra, MA Castro, TL Fonseca, EE Fileti, S Canuto
The Journal of chemical physics 132 (3), 034307, 2010
Polarization and spectral shift of benzophenone in supercritical water
TL Fonseca, HC Georg, K Coutinho, S Canuto
The Journal of Physical Chemistry A 113 (17), 5112-5118, 2009
Polarization and solvatochromic shift of ortho-betaine in water
TL Fonseca, K Coutinho, S Canuto
Chemical Physics 349 (1-3), 109-114, 2008
Theoretical study of the lowest electronic transitions of sulfur-bearing mesoionic compounds in gas-phase and in dimethyl sulfoxide
TL Fonseca, HCB de Oliveira, MA Castro
Chemical Physics Letters 457 (1-3), 119-123, 2008
Dynamic (hyper) polarizabilities of the ozone molecule: Coupled cluster calculations including vibrational corrections
ES Naves, MA Castro, TL Fonseca
The Journal of chemical physics 134 (5), 054315, 2011
Probing supercritical water with the transition of acetone: A Monte Carlo/quantum mechanics study
TL Fonseca, K Coutinho, S Canuto
The Journal of chemical physics 126 (3), 034508, 2007
Second hyperpolarizability of the calcium-doped lithium salt of pyridazine Li–H3C4N2⋯ Ca
S Marques, MA Castro, SA Leão, TL Fonseca
Chemical Physics Letters 659, 76-79, 2016
Hydrogen bond interactions between acetone and supercritical water
TL Fonseca, K Coutinho, S Canuto
Physical Chemistry Chemical Physics 12 (25), 6660-6665, 2010
Elucidating the structure of merocyanine dyes with the ASEC-FEG method. Phenol blue in solution
LR Franco, I Brandão, TL Fonseca, HC Georg
The Journal of chemical physics 145 (19), 194301, 2016
Static and dynamic first hyperpolarizabilities of azo-enaminone isomers
TL Fonseca, MA Castro, HCB de Oliveira, S Cunha
Chemical physics letters 442 (4-6), 259-264, 2007
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