Cover Image, Volume 119, Issue 8.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 8, p. N.PAG, doi. 10.1002/qua.25922
- Publication type:
- Article
Works matching IS 00207608 AND DT 2019 AND VI 119 AND IP 8
Results: 12
1
2
Computational design and characterization of new thieno‐expanded tricyclic purine analogs.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 8, p. N.PAG, doi. 10.1002/qua.25870
- By:
- Publication type:
- Article
3
Can halogen bond energy be reliably estimated from electron density properties at bond critical point? The case of the (A)<sub>n</sub>Z—Y•••X<sup>−</sup> (X, Y = F, Cl, Br) interactions.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 8, p. N.PAG, doi. 10.1002/qua.25869
- By:
- Publication type:
- Article
4
On the molecular origin of the sensitivity to impact of cyclic nitramines.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 8, p. N.PAG, doi. 10.1002/qua.25868
- By:
- Publication type:
- Article
5
Carbene triel bonds between TrR<sub>3</sub> (Tr = B, Al) and N‐heterocyclic carbenes.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 8, p. N.PAG, doi. 10.1002/qua.25867
- By:
- Publication type:
- Article
6
A theoretical study of the photoelectron spectra of dichloroketene with accurate computation of ionization energies via complete basis set limit extrapolation.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 8, p. N.PAG, doi. 10.1002/qua.25866
- By:
- Publication type:
- Article
7
The s‐homodesmotic method for the computation of conventional strain energies of bicyclic systems and individual rings within these systems.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 8, p. N.PAG, doi. 10.1002/qua.25864
- By:
- Publication type:
- Article
8
Employing broken symmetry effects from unrestricted coupled cluster wave function to determine dynamic and non‐dynamic electron correlation during triple bond breaking in the N<sub>2</sub> molecule.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 8, p. N.PAG, doi. 10.1002/qua.25865
- By:
- Publication type:
- Article
9
Next‐generation quantum theory of atoms in molecules for the ground and excited state of the ring‐opening of cyclohexadiene.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 8, p. N.PAG, doi. 10.1002/qua.25862
- By:
- Publication type:
- Article
10
The vorticity of the current density tensor and 3D‐aromaticity.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 8, p. N.PAG, doi. 10.1002/qua.25848
- By:
- Publication type:
- Article
11
Issue Information.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 8, p. N.PAG, doi. 10.1002/qua.25737
- Publication type:
- Article
12
On normalized Laplacians, multiplicative degree‐Kirchhoff indices, and spanning trees of the linear [n]phenylenes and their dicyclobutadieno derivatives.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 8, p. N.PAG, doi. 10.1002/qua.25863
- By:
- Publication type:
- Article