The strength of a chemical bond.
- Published in:
- International Journal of Quantum Chemistry, 2022, v. 122, n. 8, p. 1, doi. 10.1002/qua.26773
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- Publication type:
- Article
Works matching IS 00207608 AND DT 2022 AND VI 122 AND IP 8
Results: 17
1
2
The role of quantum chemistry in covalent inhibitor design.
- Published in:
- International Journal of Quantum Chemistry, 2022, v. 122, n. 8, p. 1, doi. 10.1002/qua.26768
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- Publication type:
- Article
3
Half‐Projected Hartree–Fock method: History and application to excited states of the same symmetry as the ground state.
- Published in:
- International Journal of Quantum Chemistry, 2022, v. 122, n. 8, p. 1, doi. 10.1002/qua.26889
- Publication type:
- Article
4
Editorial: In memoriam István Mayer.
- Published in:
- International Journal of Quantum Chemistry, 2022, v. 122, n. 8, p. 1, doi. 10.1002/qua.26885
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- Article
5
A viewpoint on population analyses.
- Published in:
- International Journal of Quantum Chemistry, 2022, v. 122, n. 8, p. 1, doi. 10.1002/qua.26860
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- Publication type:
- Article
6
On the inclusion of cusp effects in expectation values with explicitly correlated Gaussians.
- Published in:
- International Journal of Quantum Chemistry, 2022, v. 122, n. 8, p. 1, doi. 10.1002/qua.26819
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- Publication type:
- Article
7
Compact representation of generalized molecular polarizabilities and efficient calculation of polarization energy in an arbitrary electric field.
- Published in:
- International Journal of Quantum Chemistry, 2022, v. 122, n. 8, p. 1, doi. 10.1002/qua.26792
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- Publication type:
- Article
8
Multilevel approach to the initial guess for self‐consistent field calculations.
- Published in:
- International Journal of Quantum Chemistry, 2022, v. 122, n. 8, p. 1, doi. 10.1002/qua.26782
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- Publication type:
- Article
9
A basis set superposition error‐free second‐order perturbation theory from Hermitian chemical Hamiltonian approach self‐consistent field canonic orbitals.
- Published in:
- International Journal of Quantum Chemistry, 2022, v. 122, n. 8, p. 1, doi. 10.1002/qua.26777
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- Publication type:
- Article
10
The influence of cations on the dipole moments of neighboring polar molecules.
- Published in:
- International Journal of Quantum Chemistry, 2022, v. 122, n. 8, p. 1, doi. 10.1002/qua.26758
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- Publication type:
- Article
11
Topological aspects of cavity‐induced degeneracies in polyatomic molecules.
- Published in:
- International Journal of Quantum Chemistry, 2022, v. 122, n. 8, p. 1, doi. 10.1002/qua.26750
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- Publication type:
- Article
12
Issue Information.
- Published in:
- International Journal of Quantum Chemistry, 2022, v. 122, n. 8, p. 1, doi. 10.1002/qua.26705
- Publication type:
- Article
13
A wavefunction model to chemical bonding.
- Published in:
- International Journal of Quantum Chemistry, 2022, v. 122, n. 8, p. 1, doi. 10.1002/qua.26686
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- Publication type:
- Article
14
Fisher information and density functional theory.
- Published in:
- International Journal of Quantum Chemistry, 2022, v. 122, n. 8, p. 1, doi. 10.1002/qua.26679
- Publication type:
- Article
15
Isomerism in secondary bonded complexes: Do structural rules apply?
- Published in:
- International Journal of Quantum Chemistry, 2022, v. 122, n. 8, p. 1, doi. 10.1002/qua.26670
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- Publication type:
- Article
16
Reverse engineering in quantum chemistry: How to reveal the fifth‐order off‐diagonal cusp in the one‐electron reduced density matrix without actually calculating it.
- Published in:
- International Journal of Quantum Chemistry, 2022, v. 122, n. 8, p. 1, doi. 10.1002/qua.26651
- Publication type:
- Article
17
Investigating István Mayer's "improved" definitions of bond orders and free valence for correlated singlet‐state wave functions.
- Published in:
- International Journal of Quantum Chemistry, 2022, v. 122, n. 8, p. 1, doi. 10.1002/qua.26612
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- Publication type:
- Article