Works matching IS 1432881X AND DT 2010 AND VI 125 AND IP 1/2
Results: 10
Understanding on absorption and fluorescence electronic transitions of carbazole-based conducting polymers: TD-DFT approaches.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2010, v. 125, n. 1/2, p. 35, doi. 10.1007/s00214-009-0655-4
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- Publication type:
- Article
Revised relativistic basis sets for the 5 d elements Hf–Hg.
- Published in:
- 2010
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- Publication type:
- Letter
Molecular structure and spectroscopic properties of polyaromatic heterocycles by first principle calculations: spectroscopic shifts with the adsorption of thiophene on phyllosilicate surface.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2010, v. 125, n. 1/2, p. 83, doi. 10.1007/s00214-009-0666-1
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- Publication type:
- Article
Editorial.
- Published in:
- 2010
- By:
- Publication type:
- Editorial
A universal approach for continuum solvent p K<sub>a</sub> calculations: are we there yet?
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2010, v. 125, n. 1/2, p. 3, doi. 10.1007/s00214-009-0667-0
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- Publication type:
- Article
Static and dynamic ionization levels of transition metal-doped zinc chalogenides.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2010, v. 125, n. 1/2, p. 23, doi. 10.1007/s00214-009-0654-5
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- Publication type:
- Article
Theoretical studies of decomposition kinetics of CF<sub>3</sub>CCl<sub>2</sub>O radical.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2010, v. 125, n. 1/2, p. 57, doi. 10.1007/s00214-009-0659-0
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- Publication type:
- Article
Dual-level direct dynamics studies on the reactions of tetramethylsilane with chlorine and bromine atoms.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2010, v. 125, n. 1/2, p. 75, doi. 10.1007/s00214-009-0664-3
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- Publication type:
- Article
Theoretical investigation on mechanism for OH-initiated oxidation of CH<sub>2</sub>=C(CH<sub>3</sub>)CH<sub>2</sub>OH.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2010, v. 125, n. 1/2, p. 45, doi. 10.1007/s00214-009-0657-2
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- Publication type:
- Article
CASPT2 and CASSCF studies on the low-lying electronic states of the HCCO radical and its anion.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2010, v. 125, n. 1/2, p. 65, doi. 10.1007/s00214-009-0663-4
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- Publication type:
- Article