Found: 29
Select item for more details and to access through your institution.
Molecular cloning and 3D model of a fatty-acid elongase in a carnivorous freshwater teleost, the European perch (Perca fluviatilis).
- Published in:
- 3 Biotech, 2019, v. 9, n. 6, p. N.PAG, doi. 10.1007/s13205-019-1773-x
- By:
- Publication type:
- Article
DHX15-independent roles for TFIP11 in U6 snRNA modification, U4/U6.U5 tri-snRNP assembly and pre-mRNA splicing fidelity.
- Published in:
- Nature Communications, 2021, v. 12, n. 1, p. 1, doi. 10.1038/s41467-021-26932-2
- By:
- Publication type:
- Article
Multiscale molecular dynamics simulations of sodium dodecyl sulfate micelles: from coarse-grained to all-atom resolution.
- Published in:
- Journal of Molecular Modeling, 2014, v. 20, n. 10, p. 1, doi. 10.1007/s00894-014-2469-0
- By:
- Publication type:
- Article
Stochastic simulation of structural properties of natively unfolded and denatured proteins.
- Published in:
- Journal of Molecular Modeling, 2012, v. 18, n. 9, p. 4503, doi. 10.1007/s00894-012-1456-6
- By:
- Publication type:
- Article
Fluorene-imidazole dyes excited states from first-principles calculations—Topological insights.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2016, v. 135, n. 4, p. 1, doi. 10.1007/s00214-016-1866-0
- By:
- Publication type:
- Article
Assessment of the ωB97 family for excited-state calculations.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2011, v. 128, n. 1, p. 127, doi. 10.1007/s00214-010-0783-x
- By:
- Publication type:
- Article
On the TD-DFT UV/vis spectra accuracy: the azoalkanes.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2008, v. 120, n. 4-6, p. 405, doi. 10.1007/s00214-008-0424-9
- By:
- Publication type:
- Article
A quantitative prediction of the electronic spectra of thiocarbonyl chromophores: TD-DFT versus SAC-CI.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2008, v. 119, n. 5/6, p. 463, doi. 10.1007/s00214-007-0405-4
- By:
- Publication type:
- Article
Towards a universal method for protein refolding: The trimeric beta barrel membrane Omp2a as a test case.
- Published in:
- Biotechnology & Bioengineering, 2013, v. 110, n. 2, p. 417, doi. 10.1002/bit.24722
- By:
- Publication type:
- Article
A theoretical investigation of microhydration of amino acids.
- Published in:
- 2010
- By:
- Publication type:
- Abstract
Pyrrolidine-based dye-sensitized solar cells: A time-dependent density functional theory investigation of the excited state electronic properties.
- Published in:
- International Journal of Quantum Chemistry, 2012, v. 112, n. 9, p. 2072, doi. 10.1002/qua.23153
- By:
- Publication type:
- Article
Nonresonant frequency dispersion of the electronic second hyperpolarizability of all-trans polysilane chains: An ab initio TDHF oligomeric approach.
- Published in:
- International Journal of Quantum Chemistry, 1998, v. 70, n. 4/5, p. 751, doi. 10.1002/(SICI)1097-461X(1998)70:4/5<751::AID-QUA21>3.0.CO;2-3
- By:
- Publication type:
- Article
Heteroleptic Pyridyl-Carbene Iron Complexes with Tuneable Electronic Properties.
- Published in:
- European Journal of Inorganic Chemistry, 2014, v. 2014, n. 23, p. 3747, doi. 10.1002/ejic.201402356
- By:
- Publication type:
- Article
Revisiting the relationship between the bond length alternation and the first hyperpolarizability with range-separated hybrid functionals.
- Published in:
- Journal of Computational Chemistry, 2008, v. 29, n. 6, p. 921, doi. 10.1002/jcc.20849
- By:
- Publication type:
- Article
Structural and functional characterization of Solanum tuberosum VDAC36.
- Published in:
- Proteins, 2020, v. 88, n. 6, p. 729, doi. 10.1002/prot.25861
- By:
- Publication type:
- Article
Purification and Characterization of Trehalase From Acyrthosiphon pisum, a Target for Pest Control.
- Published in:
- Protein Journal, 2022, v. 41, n. 1, p. 189, doi. 10.1007/s10930-021-10032-7
- By:
- Publication type:
- Article
Absorption spectra of azobenzenes simulated with time-dependent density functional theory.
- Published in:
- International Journal of Quantum Chemistry, 2011, v. 111, n. 15, p. 4224, doi. 10.1002/qua.22910
- By:
- Publication type:
- Article
Absorption spectra of recently synthesised organic dyes: A TD-DFT study.
- Published in:
- International Journal of Quantum Chemistry, 2010, v. 110, n. 12, p. 2121, doi. 10.1002/qua.22539
- By:
- Publication type:
- Article
A UV/VIS spectra investigation of pH-sensitive dyes using time-dependent density functional theory.
- Published in:
- International Journal of Quantum Chemistry, 2010, v. 110, n. 12, p. 2147, doi. 10.1002/qua.22558
- By:
- Publication type:
- Article
An ab initio simulation of the UV/visible spectra of N-benzylideneaniline dyes.
- Published in:
- International Journal of Quantum Chemistry, 2009, v. 109, n. 15, p. 3506, doi. 10.1002/qua.22303
- By:
- Publication type:
- Article
Tayloring standard TDDFT approaches for computing UV/Vis transitions in thiocarbonyl chromophores.
- Published in:
- International Journal of Quantum Chemistry, 2008, v. 108, n. 4, p. 762, doi. 10.1002/qua.21544
- By:
- Publication type:
- Article
Ab initio investigation of the solvent and electron correlation effects on the geometries and first hyperpolarizabilities of push–pull oligomers.
- Published in:
- International Journal of Quantum Chemistry, 2007, v. 107, n. 11, p. 2066, doi. 10.1002/qua.21385
- By:
- Publication type:
- Article
DFT and TD-DFT investigation of IR and UV spectra of solvated molecules: Comparison of two SCRF continuum models.
- Published in:
- International Journal of Quantum Chemistry, 2007, v. 107, n. 3, p. 574, doi. 10.1002/qua.21182
- By:
- Publication type:
- Article
Assessment of PBE0 for evaluating the absorption spectra of carbonyl molecules.
- Published in:
- International Journal of Quantum Chemistry, 2006, v. 106, n. 8, p. 1853, doi. 10.1002/qua.20982
- By:
- Publication type:
- Article
NLO response of polymethineimine and polymethineimine/polyacetylene conformers: Assessment of electron correlation effects.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 105, n. 6, p. 553, doi. 10.1002/qua.20649
- By:
- Publication type:
- Article
Linear phosphorus–boron chains: model system with huge electronic first hyperpolarizability.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 103, n. 2, p. 226, doi. 10.1002/qua.20501
- By:
- Publication type:
- Article
Longitudinal NLO properties of C2H2, HCCF, and C2F2: Electron correlation and vibration effects.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 102, n. 2, p. 209, doi. 10.1002/qua.20373
- By:
- Publication type:
- Article
Linear, cyclic, and Möbius strip polyacenes: The influence of the topology on the size-dependent HOMO-LUMO energy gap.
- Published in:
- International Journal of Quantum Chemistry, 2001, v. 84, n. 6, p. 607, doi. 10.1002/qua.1415
- By:
- Publication type:
- Article
Bond length alternation effects on the static electronic polarizability and second hyperpolarizability of polyacetylene chains.
- Published in:
- International Journal of Quantum Chemistry, 1999, v. 75, n. 4/5, p. 441, doi. 10.1002/(SICI)1097-461X(1999)75:4/5<441::AID-QUA10>3.0.CO;2-B
- By:
- Publication type:
- Article