Substituent effects on the stability of 1,4‐benzodiazepin‐2‐one tautomers: A density functional study.
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- International Journal of Quantum Chemistry, 2018, v. 118, n. 8, p. 1, doi. 10.1002/qua.25523
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Works matching IS 00207608 AND DT 2018 AND VI 118 AND IP 8
Results: 8
1
2
Cover Image, Volume 118, Issue 8.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 8, p. 1, doi. 10.1002/qua.25613
- Publication type:
- Article
3
Ab initio quantum chemical calculation of electron density, electrostatic potential, and electric field of biomolecule based on fragment molecular orbital method.
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- International Journal of Quantum Chemistry, 2018, v. 118, n. 8, p. 1, doi. 10.1002/qua.25535
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- Publication type:
- Article
4
Theoretical study on inverse sandwiches [M(AIP)]<sub>2</sub>(C<sub>4</sub>H<sub>4</sub>) (M = V, Cr): High spin multiplicity of septet and nonet.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 8, p. 1, doi. 10.1002/qua.25524
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- Publication type:
- Article
5
Mechanochemistry on the Müller–Brown surface by Newton trajectories.
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- International Journal of Quantum Chemistry, 2018, v. 118, n. 8, p. 1, doi. 10.1002/qua.25522
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- Publication type:
- Article
6
Insight into the π‐hole···π‐electrons tetrel bonds between F<sub>2</sub>ZO (Z = C, Si, Ge) and unsaturated hydrocarbons.
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- International Journal of Quantum Chemistry, 2018, v. 118, n. 8, p. 1, doi. 10.1002/qua.25521
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- Publication type:
- Article
7
The effects of higher orders of perturbation theory on the correlation energy of atoms and bonds in molecules.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 8, p. 1, doi. 10.1002/qua.25519
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- Publication type:
- Article
8
Issue Information.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 8, p. 1, doi. 10.1002/qua.25470
- Publication type:
- Article