Found: 13
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Exchange-correlation kernel for perturbation dependent auxiliary functions in auxiliary density perturbation theory.
- Published in:
- Journal of Molecular Modeling, 2024, v. 30, n. 9, p. 1, doi. 10.1007/s00894-024-06091-z
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Electronic structure and reactivity indexes of cobalt clusters, both pure and mixed with NO and N2O (Conq, q=0,1 and n=4-9).
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- Journal of Molecular Modeling, 2022, v. 28, n. 7, p. 1, doi. 10.1007/s00894-022-05165-0
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- Article
Theoretical calculation of polarizability isotope effects.
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- Journal of Molecular Modeling, 2017, v. 23, n. 3, p. 1, doi. 10.1007/s00894-017-3236-9
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- Article
Theoretical and Cyclic Voltammetric Analysis of Asparagine and Glutamine Electrocatalytic Activities for Dopamine Sensing Applications.
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- Catalysts (2073-4344), 2023, v. 13, n. 1, p. 100, doi. 10.3390/catal13010100
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- Article
A generalized any‐particle propagator theory: Calculations of nucleon's binding energies.
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- International Journal of Quantum Chemistry, 2020, v. 120, n. 7, p. 1, doi. 10.1002/qua.26140
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- Article
h function: A protonic take on the numerical Fukui function as a graphical descriptor for deprotonation.
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- International Journal of Quantum Chemistry, 2018, v. 118, n. 10, p. 1, doi. 10.1002/qua.25532
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- Article
LOWDIN: The any particle molecular orbital code.
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- International Journal of Quantum Chemistry, 2014, v. 114, n. 1, p. 50, doi. 10.1002/qua.24500
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- Article
Static and dynamic first hyperpolarizabilities from time-dependent auxiliary density perturbation theory.
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- International Journal of Quantum Chemistry, 2012, v. 112, n. 21, p. 3461, doi. 10.1002/qua.24082
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- Article
Influence of Endohedral Confinement on the Electronic Interaction between He atoms: A He<sub>2</sub>@C<sub>20</sub>H<sub>20</sub> Case Study.
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- Chemistry - A European Journal, 2009, v. 15, n. 8, p. 1985, doi. 10.1002/chem.200801399
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Half-numerical evaluation of pseudopotential integrals.
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- Journal of Computational Chemistry, 2006, v. 27, n. 9, p. 1009, doi. 10.1002/jcc.20410
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- Article
A Fukui Analysis of an Arginine-Modified Carbon Surface for the Electrochemical Sensing of Dopamine.
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- Materials (1996-1944), 2022, v. 15, n. 18, p. 6337, doi. 10.3390/ma15186337
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- Article
Studies of Monoamine Neurotransmitters at Nanomolar Levels Using Carbon Material Electrodes: A Review.
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- Materials (1996-1944), 2022, v. 15, n. 16, p. 5782, doi. 10.3390/ma15165782
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- Article
Extended source model for diffusive coupling.
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- European Physical Journal E -- Soft Matter, 2016, v. 39, n. 1, p. 1, doi. 10.1140/epje/i2016-16004-y
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- Article