Results 161 to 170 of about 16,319 (283)

Expansion of the Metal-Involving Noncovalent Interaction Repertoire: The Case of Pd(II) and Pt(II) Triel Bonding. [PDF]

Chemphyschem
Gomila RM, Frontera A.
europepmc   +1 more source

Crystalline 3D covalent organic frameworks with nbo topology. [PDF]

Sci Adv
Hirota S, Sugiyama H, Hirata N, Nakano S, Usuba J, Hijikata Y, Matsuda R, Nakane T, Kawamoto A, Kurisu G, Segawa Y.   +10 more
europepmc   +1 more source

Perioperative Normobaric Hyperoxia Combined With Pulmonary Rehabilitation Intervention for Enhanced Short-Term Recovery in Lung Cancer Surgery. [PDF]

Thorac Cancer
Zhou M, Liu J, Li D, Luo J, Li L, Yu Z, Song S, Xie G, Liu Z, Xie W, Li P, Lai Y, Dong J, Wei Q, Huang C.   +14 more
europepmc   +1 more source

Aerogen Bonding in NgO₂F₂ (Ng = Xe, Kr): A Computational Study. [PDF]

Chemphyschem
Surati ZY, Sharma J, Dash SR, Vanka K.
europepmc   +1 more source

Inconsistencies of Gaussian's "NBO 3.1" Module With Authentic Natural Population Analysis. [PDF]

J Comput Chem
Weinhold F.
europepmc   +1 more source

Electronic effects on the stability of heteroleptic nickel(II) complexes with aromatic and aliphatic ligands. [PDF]

J Mol Model
de Miranda DB, André TR, Ferreira GB.
europepmc   +1 more source

Schleyer hyperconjugative aromaticity as an efficient strategy to induce more delocalization in penguinone and thiopenguinone derivatives: a DFT investigation. [PDF]

Sci Rep
Shafipour E, Mirjafary Z, Saeidian H.
europepmc   +1 more source

Zero Indirect Band Gap and Flat Bands in a Niobium Oxyiodide Cluster Material. [PDF]

J Am Chem Soc
Beitlberger J, Martin M, Scheele M, Matas M, Romao CP, Ströbele M, Meyer HJ.   +6 more
europepmc   +1 more source

Azole γ‐Peptides Helix Switching via Heterocycle Substitutions

Angewandte Chemie, Volume 138, Issue 36, 1 September 2026.
Heterocycle substitution in azole‐based γ‐amino acids enables control over the helical shape of heterocyclic γ‐peptides. S↔N permutation in thiazole residues switches a canonical 9‐helix into a flexible helix exhibiting discontinuous hydrogen bonding.
Samantha Chaise, Claude Didierjean, Audrey Gacogne, Maxime Fillaudeau, Young Kee Kang, Aurélien Lebrun, Jean‐Louis Bantignies, Dominique Housset, Muriel Amblard, Ludovic T. Maillard, Baptiste Legrand   +10 more
wiley   +2 more sources

Comparative quantum-chemical investigation of 2-chloro-N-(4-methoxyphenyl)acetamide and 2-(4-methoxyphenylamino)-2-oxoethyl meth/acrylate: DFT, TD-DFT, and non-covalent interaction analyses. [PDF]

J Comput Aided Mol Des
Çankaya N, Kebiroğlu MH.
europepmc   +1 more source