Results 91 to 100 of about 679,725 (183)

Probing Proximal Intramolecular Hydrogen Bonding Interactions on a Norbornane Scaffold. [PDF]

J Phys Chem A
Rock CA, Green DB, Flores MJ, Carr JM, Ismail TM, Tschumper GS.   +5 more
europepmc   +1 more source

Analyzing Spectral Similarities for Structural Identification Using a New Benchmark Database. [PDF]

J Phys Chem A
Rahimi R, Saban N, Bar I.
europepmc   +1 more source

Revisiting Vacuum Simulations Using Modern Classical Protein Force Fields. [PDF]

ACS Omega
Lam VT, Tran DP.
europepmc   +1 more source

Hidden in plain sight: commonly used copper N-heterocyclic carbene catalysts gain stabilization from anagostic Cu⋯H-C interactions. [PDF]

Chem Sci
Yan C, Chang T, Chen YS, Paterson AL, McElheny D, Mankad NP.   +5 more
europepmc   +1 more source

Beyond Hydrogen Bonding: π···π Stacking Directed Self-Assembly of Carboxylic Acid Clusters in the Gas Phase. [PDF]

Angew Chem Int Ed Engl
Hong J, Schnell M, Zhou M, Li W.
europepmc   +1 more source

Fatigue Crack Initiation Life Prediction of Rails Using Theory of Critical Distance and Critical Plane Approach

Journal of Computational Science and Technology, 2012
Makoto AKAMA, Hiroyuki MATSUDA, Hisayo DOI, Masahiro TSUJIE   +3 more
openaire   +2 more sources

Polymer-metal oxide interfaces in XHNBR/PA6 blends: computational insights toward sustainable crosslinking. [PDF]

RSC Adv
Calvo U, Matxain JM, Egurrola JJ, Burgoa A, Ruipérez F.   +4 more
europepmc   +1 more source

4-Fold Protonation of Tetracyanometalates in Superacids: Hydrogen and π-Hole Bonding in the Solid State. [PDF]

Inorg Chem
Streit TN, Sellin M, Rupf SM, Gomila RM, Frontera A, Malischewski M.   +5 more
europepmc   +1 more source

Static Assessment of Notched Additively Manufactured Polymers Based on the Theory of Critical Distances

, 2022
openaire   +2 more sources

Resolving sequential electron-proton transfer kinetics for electrochemical CO₂ reduction at the Cu(100)/H₂O interface <i>via</i> a quantum-classical framework. [PDF]

Chem Sci
Yang Y, Fu G.
europepmc   +1 more source