Double many-body expansion potential energy surface for ground-state HCN based on realistic long range forces and accurate ab initio calculations AJC Varandas, SPJ Rodrigues The Journal of chemical physics 106 (23), 9647-9658, 1997 | 61 | 1997 |
New double many-body expansion potential energy surface for ground-state HCN from a multiproperty fit to accurate ab initio energies and rovibrational calculations AJC Varandas, SPJ Rodrigues The Journal of Physical Chemistry A 110 (2), 485-493, 2006 | 60 | 2006 |
Unimolecular and Bimolecular Calculations for HN2 P Caridade, SPJ Rodrigues, F Sousa, AJC Varandas The Journal of Physical Chemistry A 109 (10), 2356-2363, 2005 | 57 | 2005 |
A realistic double many-body expansion potential energy surface for SO2 (X̃1A′) from a multiproperty fit to accurate ab initio energies and vibrational levels AJC Varandas, SPJ Rodrigues Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 58 (4 …, 2002 | 42 | 2002 |
Does poly (vinyl alcohol) act as an amphiphilic polymer? An interaction study with simvastatin JGC Baptista, SPJ Rodrigues, AFY Matsushita, C Vitorino, TMR Maria, ... Journal of Molecular Liquids 222, 287-294, 2016 | 33 | 2016 |
Spectroscopic, radiochemical, and theoretical studies of the Ga3+‐N‐2‐hydroxyethyl piperazine‐N′‐2‐ethanesulfonic acid (HEPES buffer) system: evidence for the formation of Ga … AF Martins, MIM Prata, SPJ Rodrigues, CFGC Geraldes, PJ Riss, ... Contrast Media & Molecular Imaging 8 (3), 265-273, 2013 | 31 | 2013 |
Recalibrated Double Many-Body Expansion Potential Energy Surface and Dynamics Calculations for HN2 P Caridade, LA Poveda, SPJ Rodrigues, AJC Varandas The Journal of Physical Chemistry A 111 (7), 1172-1178, 2007 | 28 | 2007 |
Single-Valued Double Many-Body Expansion Potential Energy Surface of Ground-State SO2 SPJ Rodrigues, JA Sabin, AJC Varandas The Journal of Physical Chemistry A 106 (3), 556-562, 2002 | 28 | 2002 |
Direct fit of extended Hartree–Fock approximate correlation energy model to spectroscopic data AJC Varandas, SPJ Rodrigues, VMO Batista Chemical physics letters 424 (4-6), 425-431, 2006 | 27 | 2006 |
Gold nanoparticles functionalised with fast water exchanging Gd 3+ chelates: Linker effects on the relaxivity MF Ferreira, J Gonçalves, B Mousavi, MIM Prata, SPJ Rodrigues, D Calle, ... Dalton Transactions 44 (9), 4016-4031, 2015 | 26 | 2015 |
Internuclear dependence of static dipole polarizability in diatomic molecules AJC Varandas, SPJ Rodrigues Chemical physics letters 245 (1), 66-74, 1995 | 23 | 1995 |
Refining to near spectroscopic accuracy the double many-body expansion potential energy surface for ground-state NH2 SPJ Rodrigues, ACG Fontes, YQ Li, AJC Varandas Chemical Physics Letters 516 (1-3), 17-22, 2011 | 21 | 2011 |
Dynamics study of the reaction Ar+ HCN→ Ar+ H+ CN SPJ Rodrigues, AJC Varandas The Journal of Physical Chemistry A 102 (31), 6266-6273, 1998 | 21 | 1998 |
On the variation of the electric quadrupole moment with internuclear distance and the atom–diatom long-range electrostatic interaction energy SPJ Rodrigues, AJC Varandas Physical Chemistry Chemical Physics 2 (4), 435-439, 2000 | 19 | 2000 |
Energy switching potential energy surfaces and spectra of the van der Waals modes for the ArHCN molecule AJC Varandas, SPJ Rodrigues, PAJ Gomes Chemical physics letters 297 (5-6), 458-466, 1998 | 17 | 1998 |
Energy-switching potential energy surface for the water molecule revisited: A highly accurate singled-sheeted form BRL Galvao, SPJ Rodrigues, AJC Varandas The Journal of chemical physics 129 (4), 2008 | 16 | 2008 |
Dynamics study of the reaction S+ O2→ SO+ O and its reverse on a single-valued double many-body expansion potential energy surface for ground-state SO2 SPJ Rodrigues, AJC Varandas The Journal of Physical Chemistry A 107 (28), 5369-5374, 2003 | 14 | 2003 |
Vapor-liquid equilibrium of Argon. Simulation with nonadditive potentials SPJ Rodrigues, FMSS Fernandes The Journal of Physical Chemistry 98 (14), 3917-3920, 1994 | 13 | 1994 |
Indígenas brasileiros e o uso das plantas: saber tradicional, cultura e etnociência J da Silva Gaudêncio, SPJ Rodrigues, DR Martins Khronos, 163-182, 2020 | 10 | 2020 |
Jardins de cristais: química e literatura SPJ Rodrigues Gradiva, 2014 | 10 | 2014 |