Solà M - Search Results

1

Special Collection: Computational Chemistry.

Solà M, De Proft F, Bickelhaupt FM. Solà M, et al. ChemistryOpen. 2019 Jul 2;8(7):814-816. doi: 10.1002/open.201900197. eCollection 2019 Jul. ChemistryOpen. 2019. PMID: 31304073 Free PMC article.

2

Ab initio benchmark study for the oxidative addition of CH4 to Pd: importance of basis-set flexibility and polarization.

de Jong GT, Solà M, Visscher L, Bickelhaupt FM. de Jong GT, et al. Among authors: sola m. J Chem Phys. 2004 Nov 22;121(20):9982-92. doi: 10.1063/1.1792151. J Chem Phys. 2004. PMID: 15549873

3

Oxidative addition of the ethane C-C bond to Pd. An ab initio benchmark and DFT validation study.

De Jong GT, Geerke DP, Diefenbach A, Solà M, Bickelhaupt FM. De Jong GT, et al. Among authors: sola m. J Comput Chem. 2005 Jul 30;26(10):1006-20. doi: 10.1002/jcc.20233. J Comput Chem. 2005. PMID: 15880815

4

Ab initio and DFT benchmark study for nucleophilic substitution at carbon (SN2@C) and silicon (SN2@Si).

Bento AP, Solà M, Bickelhaupt FM. Bento AP, et al. Among authors: sola m. J Comput Chem. 2005 Nov 15;26(14):1497-504. doi: 10.1002/jcc.20261. J Comput Chem. 2005. PMID: 16092145

5

Structure and bonding of methyl alkali metal molecules.

Bickelhaupt FM, Solà M, Fonseca Guerra C. Bickelhaupt FM, et al. Among authors: sola m. J Mol Model. 2006 Jul;12(5):563-8. doi: 10.1007/s00894-005-0056-0. Epub 2006 Jan 13. J Mol Model. 2006. PMID: 16411079

6

Hydrogen-hydrogen bonding in planar biphenyl, predicted by atoms-in-molecules theory, does not exist.

Poater J, Solà M, Bickelhaupt FM. Poater J, et al. Among authors: sola m. Chemistry. 2006 Mar 20;12(10):2889-95. doi: 10.1002/chem.200500850. Chemistry. 2006. PMID: 16528767

7

A model of the chemical bond must be rooted in quantum mechanics, provide insight, and possess predictive power.

Poater J, Solà M, Bickelhaupt FM. Poater J, et al. Among authors: sola m. Chemistry. 2006 Mar 20;12(10):2902-5. doi: 10.1002/chem.200600057. Chemistry. 2006. PMID: 16528769

8

Bonding in methylalkalimetals (CH(3)M)(n) (M = Li, Na, K; n = 1, 4). Agreement and divergences between AIM and ELF analyses.

Matito E, Poater J, Bickelhaupt FM, Solà M. Matito E, et al. Among authors: sola m. J Phys Chem B. 2006 Apr 13;110(14):7189-98. doi: 10.1021/jp057517n. J Phys Chem B. 2006. PMID: 16599485

9

Covalent versus ionic bonding in alkalimetal fluoride oligomers.

Bickelhaupt FM, Solà M, Guerra CF. Bickelhaupt FM, et al. Among authors: sola m. J Comput Chem. 2007 Jan 15;28(1):238-50. doi: 10.1002/jcc.20547. J Comput Chem. 2007. PMID: 17143862

10

Polycyclic benzenoids: why kinked is more stable than straight.

Poater J, Visser R, Solà M, Bickelhaupt FM. Poater J, et al. Among authors: sola m. J Org Chem. 2007 Feb 16;72(4):1134-42. doi: 10.1021/jo061637p. J Org Chem. 2007. PMID: 17288368

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My NCBI Filters

Text availability

Article attribute

Article type

Publication date

707 results

Search Page