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Enhanced π‐back‐donation resulting in the trans labilization of a pyridine ligand in an N‐heterocyclic carbene (NHC) Pd<sup>II</sup> precatalyst: a case study.
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- Acta Crystallographica Section C: Structural Chemistry, 2019, v. 75, n. 7, p. 941, doi. 10.1107/S2053229619007745
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- Article
Changes in ligating abilities of the singlet and triplet states of normal, abnormal and remote N-heterocyclic carbenes depending on their aromaticities.
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- Journal of Molecular Modeling, 2013, v. 19, n. 12, p. 5327, doi. 10.1007/s00894-013-2027-1
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- Article
A practical scheme for ab initio determination of a crystal structure based on the Dirac equation.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2007, v. 118, n. 4, p. 785, doi. 10.1007/s00214-007-0317-3
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- Article
Anchor Effect on Pedal Motion Observed in Crystal Phase of an Azobenzene Derivative.
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- Journal of Chemical Crystallography, 2011, v. 41, n. 11, p. 1642, doi. 10.1007/s10870-011-0152-1
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- Article
Supramolecular Architecture in the 1:1 Co-Crystallization of 6,7-Dimethoxy-2-methyl-4-phenylisoquinolinium Cation with Perchlorate Anion.
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- Journal of Chemical Crystallography, 2009, v. 39, n. 4, p. 279
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- Article
PM3 semiempirical study and its comparison with X-ray crystal structure of 4-[2-Methyl-4-(4-methoxyphenylazo)] phenoxyphtalonitrile.
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- Journal of Chemical Crystallography, 2006, v. 36, n. 11, p. 709, doi. 10.1007/s10870-006-9124-2
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Crystallographic and conformational analysis of 1,3-bis(2,4-dimethoxyphenyl)imidazolidine-2-thione.
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- Journal of Chemical Crystallography, 2006, v. 36, n. 4, p. 243, doi. 10.1007/s10870-005-9005-0
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- Article
Crystallographic and conformational analysis of 2-methyl-3-(2-nitro-phenyl)-4-phenyl-[1,2,4]oxadiazolidin-5-one.
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- Journal of Chemical Crystallography, 2005, v. 35, n. 8, p. 577, doi. 10.1007/s10870-005-2859-3
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- Article
Aromaticity balance, π-electron cooperativity and H-bonding properties in tautomerism of salicylideneaniline: the quantum theory of atoms in molecules (QTAIM) approach.
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- Journal of Molecular Modeling, 2011, v. 17, n. 6, p. 1295, doi. 10.1007/s00894-010-0832-3
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- Article
Effects of pnictogen and chalcogen bonds on the aromaticities of carbazole-like and dibenzofuran-like molecular skeletons: Cambridge Crystallographic Data Centre (CCDC) Study.
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- Journal of Physical Organic Chemistry, 2015, v. 28, n. 7, p. 490, doi. 10.1002/poc.3442
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- Article