Results 91 to 100 of about 68,518 (201)

Noncovalent Interactions

Chemistry International, 2020
Kamran T. Mahmudov, Armando J.L. Pombeiro   +1 more
openaire   +1 more source

Unconventional C—Hlg···H–C (Hlg = Cl, Br, and I) Interactions Involving Organic Halides: A Theoretical Study

Molecules
In this study, unconventional C—Hlg···H–C (Hlg = Cl, Br, and I) interactions involving sp, sp2, and sp3 organic halides were investigated at the RI-MP2/aug-cc-pVQZ level of theory.
Sergi Burguera, Antonio Bauzá
doaj   +1 more source

Isomer Dependence in the Assembly and Lability of Silver(I) Trifluoromethanesulfonate Complexes of the Heteroditopic Ligands, 2-, 3-, and 4-[Di(1\u3cem\u3eH\u3c/em\u3e-pyrazolyl)methyl]phenyl(di-\u3cem\u3ep\u3c/em\u3e-tolyl)phosphine [PDF]

, 2014
Three isomers of a new heteroditopic ligand that contains a di(1H-pyrazolyl)methyl (−CHpz2) moiety connected to a di(p-tolyl)phosphine group via a para-, meta-, or ortho-phenylene spacer (pL, mL, and oL, respectively) have been synthesized by using a ...
Gardinier, James R., Hewage, Jeewantha S., Lindeman, Sergey V.   +2 more
core   +1 more source

Manipulating Self-Assembly in Silver(I) Complexes of 1,3-Di-\u3cem\u3eN\u3c/em\u3e-pyrazolylorganyls [PDF]

, 2009
Three di-N-pyrazolylorganyls with different conformational flexibilities in the three-atom organyl spacers have been prepared, and the self-assembly properties with AgBF4 have been studied both in solution and in the solid state.
Gardinier, James R., Hall, Daniel, Liddle, Brendan J., Lindeman, Sergey V., Smith, Mark D.   +4 more
core   +1 more source

Noncovalent interaction with a spirobipyridine ligand enables efficient iridium-catalyzed C–H activation

Nature Communications
Exploitation of noncovalent interactions for recognition of an organic substrate has received much attention for the design of metal catalysts in organic synthesis. The CH–π interaction is especially of interest for molecular recognition because both the
Yushu Jin, Boobalan Ramadoss, Sobi Asako, Laurean Ilies   +3 more
doaj   +1 more source

Focus on noncovalent interactions [PDF]

Journal of the American Society for Mass Spectrometry, 2003
openaire   +2 more sources

DFT STUDY ON THE MECHANISTIC, ENERGETIC AND STRUCTURAL ASPECTS OF ADSORPTION OF TIRAPAZAMINE ONTO PRISTINE AND FUNCTIONALIZED CARBON NANOTUBES

Química Nova
Using density functional theory, noncovalent interactions and two mechanisms of covalent functionalization of drug tirapazamine with pristine, COOH and COCl functionalized carbon nanotube (NT, NTCOOH and NTCOCl) have been investigated.
Sadaf Avarand, Ali Morsali, Mohammad M. Heravi, S. Ali Beyramabadi   +3 more
doaj   +1 more source

Dynamic Combinatorial Chemistry [PDF]

, 2006
Corbett, Peter T.,, Leclaire, Julien,, Otto, Sijbren,, Sanders, Jeremy K.M.,, Vial, Laurent,, West, Kevin R.,, Wietor, Jean-Luc,   +6 more
core   +1 more source

CO₂ on Graphene: Benchmarking Computational Approaches to Noncovalent Interactions. [PDF]

ACS Omega, 2023
Ehlert C, Piras A, Gryn'ova G.
europepmc   +1 more source

Machine Learning Methods for Protein-Protein Interaction Prediction Based on Noncovalent Interactions. [PDF]

ACS Omega
Feng H, Sun X, Li Q, Zhang S, Xing G, Zhang G, Wang F.   +6 more
europepmc   +1 more source