Found: 105
Select item for more details and to access through your institution.
Modeling equilibrium and kinetics of metal uptake by algal biomass in continuous stirred and packed bed adsorbers.
- Published in:
- Adsorption, 2007, v. 13, n. 5/6, p. 587, doi. 10.1007/s10450-007-9029-1
- By:
- Publication type:
- Article
Ewald-type formulas for Gaussian-basis studies of one-dimensionally periodic systems.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2012, v. 131, n. 8, p. 1, doi. 10.1007/s00214-012-1257-0
- By:
- Publication type:
- Article
Core correlating basis functions for elements 31-118.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2012, v. 131, n. 5, p. 1, doi. 10.1007/s00214-012-1217-8
- By:
- Publication type:
- Article
Electrically polarized valence basis sets for the SBKJC effective core potential developed for calculations of dynamic polarizabilities and Raman intensities.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2012, v. 131, n. 2, p. 1, doi. 10.1007/s00214-012-1111-4
- By:
- Publication type:
- Article
On the basis set superposition error in supermolecular calculations of interaction-induced electric properties: many-body components.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2009, v. 122, n. 3/4, p. 127, doi. 10.1007/s00214-008-0492-x
- By:
- Publication type:
- Article
Current–voltage curves for molecular junctions: the issue of the basis set for the metal contacts.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2008, v. 119, n. 5/6, p. 429, doi. 10.1007/s00214-007-0398-z
- By:
- Publication type:
- Article
Relativistic double-zeta, triple-zeta, and quadruple-zeta basis sets for the actinides Ac–Lr.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2007, v. 117, n. 4, p. 491, doi. 10.1007/s00214-006-0175-4
- By:
- Publication type:
- Article
Relativistic double-zeta, triple-zeta, and quadruple-zeta basis sets for the 4d elements Y–Cd.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2007, v. 117, n. 4, p. 483, doi. 10.1007/s00214-006-0174-5
- By:
- Publication type:
- Article
Optimized accurate auxiliary basis sets for RI-MP2 and RI-CC2 calculations for the atoms Rb to Rn.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2007, v. 117, n. 4, p. 587, doi. 10.1007/s00214-007-0250-5
- By:
- Publication type:
- Article
Relativistic Quadruple-Zeta and Revised Triple-Zeta and Double-Zeta Basis Sets for the 4p, 5p, and 6p Elements.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2006, v. 115, n. 5, p. 441, doi. 10.1007/s00214-006-0126-0
- By:
- Publication type:
- Article
Gaussian basis sets for CO<sub>2</sub> molecule generated with the molecular improved generator coordinate Hartree-Fock method.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2005, v. 113, n. 2, p. 69, doi. 10.1007/s00214-004-0617-9
- By:
- Publication type:
- Article
Analytical Hartree-Fock gradients with respect to the cell parameter for systems periodic in three dimensions.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2004, v. 112, n. 5/6, p. 394, doi. 10.1007/s00214-004-0595-y
- By:
- Publication type:
- Article
Relativistic double-zeta, triple-zeta, and quadruple-zeta basis sets for the 5delements Hf-Hg.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2004, v. 112, n. 5/6, p. 403, doi. 10.1007/s00214-004-0607-y
- By:
- Publication type:
- Article
Can STO basis sets do a good job in evaluating molecular electromagnetic properties? I. First hyperpolarizability of H<sub>2</sub>O, CH<sub>4</sub>, and NH<sub>3</sub> according to the TDHF theory.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2004, v. 111, n. 2-6, p. 414, doi. 10.1007/s00214-003-0543-2
- By:
- Publication type:
- Article
Rationalization of the optical rotatory power of chiral molecules into atomic terms: a study of N<sub>2</sub>H<sub>4</sub>.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2003, v. 110, n. 6, p. 428, doi. 10.1007/s00214-003-0498-3
- By:
- Publication type:
- Article
Design of elliptic curve cryptoprocessors over GF(2<sup>163</sup>) using the Gaussian normal basis.
- Published in:
- Revista Ingeniería e Investigación, 2014, v. 34, n. 2, p. 55, doi. 10.15446/ing.investig.v34n2.40542
- By:
- Publication type:
- Article
Interaction-induced electric (hyper)polarizability in the dihydrogen-neon pair: basis set and electron correlation effects.
- Published in:
- Journal of Molecular Modeling, 2018, v. 24, n. 9, p. 1, doi. 10.1007/s00894-018-3801-x
- By:
- Publication type:
- Article
Quantum chemical modeling of perovskite: An investigation of piezoelectricity in ferrite of yttrium.
- Published in:
- Journal of Molecular Modeling, 2011, v. 17, n. 7, p. 1621, doi. 10.1007/s00894-010-0797-2
- By:
- Publication type:
- Article
Gait recognition based on sparse linear subspace.
- Published in:
- IET Image Processing (Wiley-Blackwell), 2021, v. 15, n. 12, p. 2761, doi. 10.1049/ipr2.12260
- By:
- Publication type:
- Article
The Coulson-Fischer wave function: parametrisation using distributed Gaussian basis sets.
- Published in:
- Molecular Physics, 2009, v. 107, n. 21, p. 2299, doi. 10.1080/00268970903279025
- By:
- Publication type:
- Article
Gaussian basis set of triple zeta valence quality for the atoms from K to Kr: Application in DFT and CCSD(T) calculations of molecular properties.
- Published in:
- Molecular Physics, 2009, v. 107, n. 16, p. 1713, doi. 10.1080/00268970903042258
- By:
- Publication type:
- Article
Finite size scaling with gaussian basis sets.
- Published in:
- Molecular Physics, 2008, v. 106, n. 2-4, p. 203, doi. 10.1080/00268970701528714
- By:
- Publication type:
- Article
Calculations of transition and permanent dipole moments of heteronuclear alkali dimers NaK, NaRb and NaCs.
- Published in:
- Molecular Physics, 2007, v. 105, n. 11/12, p. 1733, doi. 10.1080/00268970701494016
- By:
- Publication type:
- Article
Gaussian basis sets of triple and quadruple zeta valence quality for correlated wave functions.
- Published in:
- Molecular Physics, 2006, v. 104, n. 18, p. 2945, doi. 10.1080/00268970600899018
- By:
- Publication type:
- Article
Carbon monoxide adsorption on alkali and proton-exchanged chabazite: an ab-initio periodic study using the CRYSTAL code.
- Published in:
- Molecular Physics, 2005, v. 103, n. 18, p. 2559, doi. 10.1080/00268970500180865
- By:
- Publication type:
- Article
Current density maps, magnetizability, and nuclear magnetic shielding tensors of bis-heteropentalenes. III. Thieno-thiophene isomers.
- Published in:
- Molecular Physics, 2005, v. 103, n. 6-8, p. 789, doi. 10.1080/00268970512331340574
- By:
- Publication type:
- Article
A posteriori Brillouin-Wigner correction of limited multireference configuration interaction: analysis for an (H 2 ) 4 cluster model.
- Published in:
- Molecular Physics, 2003, v. 101, n. 23/24, p. 3493
- By:
- Publication type:
- Article
Comment.
- Published in:
- Molecular Physics, 2002, v. 100, n. 1, p. 75, doi. 10.1080/00268970110088910
- By:
- Publication type:
- Article
The transcorrelated method for accurate correlation energies using gaussian-type functions: examples on He, H[sub 2], LiH and H[sub 2]O.
- Published in:
- Molecular Physics, 2002, v. 100, n. 1, p. 77, doi. 10.1080/00268970110088929
- By:
- Publication type:
- Article
Finite size scaling for critical parameters of simple diatomic molecules.
- Published in:
- Molecular Physics, 2000, v. 98, n. 19, p. 1485, doi. 10.1080/00268970009483354
- By:
- Publication type:
- Article
Wave packet evolution of damped oscillator with a time dependent linear potential.
- Published in:
- Latin-American Journal of Physics Education, 2010, v. 4, n. 2, p. 331
- By:
- Publication type:
- Article
RIGHT-HANDED SNEUTRINO CURVATON AND NON-GAUSSIANITY.
- Published in:
- Modern Physics Letters A, 2010, v. 25, n. 26, p. 2231, doi. 10.1142/S0217732310033542
- By:
- Publication type:
- Article
THE RADIATIVE LEPTON FLAVOR VIOLATING DECAYS IN THE SPLIT FERMION SCENARIO IN THE TWO-HIGGS DOUBLET MODEL.
- Published in:
- Modern Physics Letters A, 2007, v. 22, n. 11, p. 819, doi. 10.1142/S0217732307021238
- By:
- Publication type:
- Article
Thermodynamics of Gaussian Fluctuations and Paraconductivity in Layered Superconductors.
- Published in:
- International Journal of Modern Physics B: Condensed Matter Physics; Statistical Physics; Applied Physics, 2000, v. 14, n. 32, p. 3831, doi. 10.1142/S0217979200001680
- By:
- Publication type:
- Article
Modified regional self-interaction corrected time-dependent density functional theory for core excited-state calculations.
- Published in:
- Journal of Computational Chemistry, 2009, v. 30, n. 16, p. 2583, doi. 10.1002/jcc.21262
- By:
- Publication type:
- Article
Majorana neutrinos in rare meson decays.
- Published in:
- Physics of Atomic Nuclei, 2006, v. 69, n. 3, p. 475, doi. 10.1134/S1063778806030100
- By:
- Publication type:
- Article
Tests of a Deformable Core Plus Few-Nucleon Model.
- Published in:
- Few-Body Systems, 2014, v. 55, n. 2, p. 121, doi. 10.1007/s00601-013-0762-6
- By:
- Publication type:
- Article
Beryllium Atom from Weak to Strong Magnetic Fields.
- Published in:
- Few-Body Systems, 2012, v. 53, n. 3-4, p. 453, doi. 10.1007/s00601-012-0458-3
- By:
- Publication type:
- Article
Four-Nucleon Scattering with a Correlated Gaussian Basis Method.
- Published in:
- Few-Body Systems, 2012, v. 52, n. 1-2, p. 97, doi. 10.1007/s00601-011-0266-1
- By:
- Publication type:
- Article
Quasi-bound states, resonance tunnelling, and tunnelling times generated by twin symmetric barriers.
- Published in:
- Pramana: Journal of Physics, 2009, v. 73, n. 6, p. 969, doi. 10.1007/s12043-009-0173-x
- By:
- Publication type:
- Article
Coulomb Sturmians as a basis for molecular calculations.
- Published in:
- Molecular Physics, 2012, v. 110, n. 15/16, p. 1593, doi. 10.1080/00268976.2012.658876
- By:
- Publication type:
- Article
Accelerating the calculation of time-resolved electronic spectra with the cellular dephasing representation.
- Published in:
- Molecular Physics, 2012, v. 110, n. 9/10, p. 945, doi. 10.1080/00268976.2012.668971
- By:
- Publication type:
- Article
A complex scaled multiconfigurational time-dependent Hartree–Fock method for studying resonant states.
- Published in:
- Molecular Physics, 2012, v. 110, n. 9/10, p. 663, doi. 10.1080/00268976.2012.659225
- By:
- Publication type:
- Article
Adaptive Dual Control of Discrete-Time Lqg Problems with Unknown-But-Bounded Parameter.
- Published in:
- Asian Journal of Control, 2015, v. 17, n. 3, p. 942, doi. 10.1002/asjc.942
- By:
- Publication type:
- Article
Fuzzy radial basis function network: a parallel design.
- Published in:
- Neural Computing & Applications, 2004, v. 13, n. 3, p. 261, doi. 10.1007/s00521-004-0431-2
- By:
- Publication type:
- Article
Segment-level probabilistic sequence kernel and segment-level pyramid match kernel based extreme learning machine for classification of varying length patterns of speech.
- Published in:
- International Journal of Speech Technology, 2019, v. 22, n. 1, p. 231, doi. 10.1007/s10772-018-09587-1
- By:
- Publication type:
- Article
Functional regression modeling via regularized Gaussian basis expansions.
- Published in:
- Annals of the Institute of Statistical Mathematics, 2009, v. 61, n. 4, p. 811, doi. 10.1007/s10463-007-0161-1
- By:
- Publication type:
- Article
Dynamics of binary Bose-Einstein condensate via Ehrenfest like equations: appearance of almost shape invariant states.
- Published in:
- European Physical Journal D (EPJ D), 2017, v. 71, n. 11, p. 1, doi. 10.1140/epjd/e2017-80012-3
- By:
- Publication type:
- Article
Microscopic description of diffractive deuteron breakup by He nuclei.
- Published in:
- Physics of Atomic Nuclei, 2016, v. 79, n. 3, p. 335, doi. 10.1134/S1063778816020101
- By:
- Publication type:
- Article
Class-prior estimation for learning from positive and unlabeled data.
- Published in:
- Machine Learning, 2017, v. 106, n. 4, p. 463, doi. 10.1007/s10994-016-5604-6
- By:
- Publication type:
- Article