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Corrigendum: Electronic Transitions in Conformationally Controlled Tetrasilanes with a Wide Range of SiSiSiSi Dihedral Angles.
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- Chemistry - A European Journal, 2015, v. 21, n. 5, p. 1839, doi. 10.1002/chem.201500117
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Proton-Induced Generation of Remote N-Heterocyclic Carbene-Ru Complexes.
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- Chemistry - A European Journal, 2015, v. 21, n. 1, p. 106, doi. 10.1002/chem.201404932
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- Article
Electronic Transitions in Conformationally Controlled Tetrasilanes with a Wide Range of SiSiSiSi Dihedral Angles.
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- Chemistry - A European Journal, 2014, v. 20, n. 30, p. 9431, doi. 10.1002/chem.201403495
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- Article
A Theoretical Investigation on CO Oxidation by Single-Atom Catalysts M<sub>1</sub>/γ-Al<sub>2</sub>O<sub>3</sub> (M=Pd, Fe, Co, and Ni).
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- ChemCatChem, 2017, v. 9, n. 7, p. 1222, doi. 10.1002/cctc.201601713
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Mechanism of the aerobic oxidation of methanol to formic acid on Au<sub>8</sub><sup>−</sup>: A DFT study.
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- International Journal of Quantum Chemistry, 2013, v. 113, n. 4, p. 428, doi. 10.1002/qua.24056
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An analysis of valence electronic structure from a viewpoint of resonance theory: Tautomerization of formamide and diazadiboretidine.
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- Journal of Computational Chemistry, 2021, v. 42, n. 23, p. 1662, doi. 10.1002/jcc.26703
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Electronic processes in NO dimerization on Ag and Cu clusters: DFT and MRMP2 studies.
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- Journal of Computational Chemistry, 2019, v. 40, n. 1, p. 181, doi. 10.1002/jcc.25568
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- Article
Photophysical properties of fluorescent imaging biological probes of nucleic acids: SAC‐CI and TD‐DFT Study.
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- Journal of Computational Chemistry, 2019, v. 40, n. 1, p. 127, doi. 10.1002/jcc.25553
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Comparing the performance of TD-DFT and SAC-CI methods in the description of excited states potential energy surfaces: An excited state proton transfer reaction as case study.
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- Journal of Computational Chemistry, 2017, v. 38, n. 14, p. 1084, doi. 10.1002/jcc.24780
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Projected CAP/ SAC- CI method with smooth Voronoi potential for calculating resonance states.
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- Journal of Computational Chemistry, 2016, v. 37, n. 2, p. 242, doi. 10.1002/jcc.24010
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Efficiency of perturbation-selection and its orbital dependence in the SAC-CI calculations for valence excitations of medium-size molecules.
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- Journal of Computational Chemistry, 2014, v. 35, n. 30, p. 2163, doi. 10.1002/jcc.23729
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- Article
Chemically Intuitive Indices for Charge-Transfer Excitation Based on SAC-CI and TD-DFT Calculations.
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- Journal of Computational Chemistry, 2013, v. 34, n. 29, p. 2498, doi. 10.1002/jcc.23423
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Electronic excitation and ionization behavior of N-hydroxypyridine-2(1H)-thione and its deprotonated anion in a polarizable medium studied using quantum chemical computations.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2016, v. 135, n. 4, p. 1, doi. 10.1007/s00214-016-1870-4
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Quasirelativistic study of <sup>125</sup>Te nuclear magnetic shielding constants and chemical shifts.
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- Journal of Computational Chemistry, 2001, v. 22, n. 13, p. 1502, doi. 10.1002/jcc.1103
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Relativistic effects and the halogen dependencies in the <sup>13</sup>C chemical shifts of CH<sub>4− n</sub>I<sub> n</sub>, CH<sub>4− n</sub>Br<sub> n</sub>, CCl<sub>4− n</sub>I<sub> n</sub>, and CBr<sub>4− n</sub>I<sub> n</sub> ( n=0-4)
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- Journal of Computational Chemistry, 2001, v. 22, n. 5, p. 528, doi. 10.1002/1096-987X(20010415)22:5<528::AID-JCC1024>3.0.CO;2-9
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- Article
Electronic Transitions in Conformationally Controlled Peralkylated Hexasilanes.
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- ChemPhysChem, 2016, v. 17, n. 19, p. 3010, doi. 10.1002/cphc.201600633
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- Article