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Literature DB >> 18683843

Predicting molecules--more realism, please!

Roald Hoffmann¹, Paul von Ragué Schleyer, Henry F Schaefer.

Abstract

Year: 2008 PMID： 18683843 DOI： 10.1002/anie.200801206

Source DB: PubMed Journal: Angew Chem Int Ed Engl ISSN： 1433-7851 Impact factor: 15.336

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Cited

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13 in total

Review 1. Nickel-catalyzed cross-couplings involving carbon-oxygen bonds.

Authors: Brad M Rosen; Kyle W Quasdorf; Daniella A Wilson; Na Zhang; Ana-Maria Resmerita; Neil K Garg; Virgil Percec
Journal: Chem Rev Date: 2010-12-06 Impact factor: 60.622

2. Exploration of structure, potential energy surface, and stability of planar C3B3.

Authors: Jingling Shao; Rongwei Shi; Cheng Wang; Xiaolei Zhu; Xiaohua Lu
Journal: J Mol Model Date: 2009-10-17 Impact factor: 1.810

3. Hydrogenated superalkalis and their possible applications.

Authors: Ambrish Kumar Srivastava; Neeraj Misra
Journal: J Mol Model Date: 2016-05-11 Impact factor: 1.810

4. Theoretical descriptions of novel triplet germylenes M₁-Ge-M₂-M₃ (M₁ = H, Li, Na, K; M₂ = Be, Mg, Ca; M₃ = H, F, Cl, Br).

Authors: Mohamad Zaman Kassaee; Samaneh Ashenagar
Journal: J Mol Model Date: 2018-02-06 Impact factor: 1.810

5. Stochastic voyages into uncharted chemical space produce a representative library of all possible drug-like compounds.

Authors: Aaron M Virshup; Julia Contreras-García; Peter Wipf; Weitao Yang; David N Beratan
Journal: J Am Chem Soc Date: 2013-05-02 Impact factor: 15.419

Predicting molecules--more realism, please!

Review 1. Nickel-catalyzed cross-couplings involving carbon-oxygen bonds.

2. Exploration of structure, potential energy surface, and stability of planar C3B3.

3. Hydrogenated superalkalis and their possible applications.

4. Theoretical descriptions of novel triplet germylenes M₁-Ge-M₂-M₃ (M₁ = H, Li, Na, K; M₂ = Be, Mg, Ca; M₃ = H, F, Cl, Br).

5. Stochastic voyages into uncharted chemical space produce a representative library of all possible drug-like compounds.

6. Automated Rational Design of Metal-Organic Polyhedra.

7. Nanomaterials design for super-degenerate electronic state beyond the limit of geometrical symmetry.

8. Tuning ligand field strength with pendent Lewis acids: access to high spin iron hydrides.

9. Comparative study on the spectral properties of boron clusters Bn(0/-1)(n = 38-40).

10. Hydrogen storage of Li₄&B₃₆ cluster.