Cover Image, Volume 114, Issue 15.
- Published in:
- 2014
- Publication type:
- Other
Works matching IS 00207608 AND DT 2014 AND VI 114 AND IP 15
Results: 11
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A perspective on the relative merits of time-dependent and time-independent density functional theory in studies of the electron spectra due to transition metal complexes. An illustration through applications to copper tetrachloride and plastocyanin.
- Published in:
- International Journal of Quantum Chemistry, 2014, v. 114, n. 15, p. 1019, doi. 10.1002/qua.24624
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- Publication type:
- Article
3
Isomers and conformers of complexes of Ti(O iPr)<sub>4</sub> with cyclopentane-1,2-dione: NMR study and DFT calculations.
- Published in:
- International Journal of Quantum Chemistry, 2014, v. 114, n. 15, p. 1012, doi. 10.1002/qua.24619
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- Publication type:
- Article
4
Quantum chemistry and its 'ages'.
- Published in:
- 2014
- By:
- Publication type:
- Other
5
Inside Cover, Volume 114, Issue 15.
- Published in:
- 2014
- Publication type:
- Other
6
Preface.
- Published in:
- 2014
- By:
- Publication type:
- Editorial
7
Challenges in the theoretical description of nanoparticle reactivity: Nano zero-valent iron.
- Published in:
- 2014
- By:
- Publication type:
- Other
8
Hydration structure of Na<sup>+</sup>, K<sup>+</sup>, F<sup>−</sup>, and Cl<sup>−</sup> in ambient and supercritical water: A quantum mechanics/molecular mechanics study.
- Published in:
- International Journal of Quantum Chemistry, 2014, v. 114, n. 15, p. 1006, doi. 10.1002/qua.24597
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- Publication type:
- Article
9
Perspective: Relativistic Hamiltonians.
- Published in:
- 2014
- By:
- Publication type:
- Other
10
Calculation of response properties with the normalized elimination of the small component method.
- Published in:
- International Journal of Quantum Chemistry, 2014, v. 114, n. 15, p. 993, doi. 10.1002/qua.24578
- By:
- Publication type:
- Article
11
The statement of goals of the international society for theoretical chemical physics.
- Published in:
- 2014
- By:
- Publication type:
- Editorial