Results 131 to 140 of about 68,518 (201)

Noncovalent Interactions Steer the Formation of Polycyclic Aromatic Hydrocarbons. [PDF]

J Am Chem Soc
Rap DB, Schrauwen JGM, Redlich B, Brünken S.   +3 more
europepmc   +1 more source

A Generally Applicable Method for Disentangling the Effect of Individual Noncovalent Interactions on the Binding Energy. [PDF]

Angew Chem Int Ed Engl
Altun A, Leach IF, Neese F, Bistoni G.
europepmc   +1 more source

Gun-Bullet Model-Based Noncovalent Interactions Boosting Visible Light Photocatalytic Hydrogen Production in Poly Thieno[3,2-b]Thiophene/Graphitic Carbon Nitride Heterojunctions. [PDF]

Polymers (Basel)
Li Y, Tong J, Chai Z, Wu Y, Wang D, Li H.   +5 more
europepmc   +1 more source

Computational Library Enables Pattern Recognition of Noncovalent Interactions and Application as a Modern Linear Free Energy Relationship. [PDF]

J Org Chem
Read JA, Ball TE, Miller BR, Jacobsen EN, Sigman MS.   +4 more
europepmc   +1 more source

An Energetic and Topological Approach to Understanding the Interplay of Noncovalent Interactions in a Series of Crystalline Spiropyrrolizine Compounds. [PDF]

ACS Omega
Tsering D, Dey P, Kapoor KK, Seth SK.
europepmc   +1 more source

Elucidation of the noncovalent interactions driving enzyme activity guides branching enzyme engineering for α-glucan modification. [PDF]

Nat Commun
Zong Z, Zhang X, Chen P, Fu Z, Zeng Y, Wang Q, Chipot C, Leggio LL, Sun Y.   +8 more
europepmc   +1 more source

Role of Exact Exchange and Empirical Dispersion in Density Functional Theory-Based Three-Body Noncovalent Interactions. [PDF]

J Phys Chem A
Cafiero M.
europepmc   +1 more source

Paraben adsorption on carbon-based 2D nanomaterials: molecular mechanisms and implications for environmental pollutant detection. [PDF]

RSC Adv
Umadevi D.
europepmc   +1 more source

Incorporating Noncovalent Interactions in Transfer Learning Gaussian Process Regression Models for Molecular Simulations. [PDF]

J Chem Theory Comput
Brown ML, Isamura BK, Skelton JM, Popelier PLA.   +3 more
europepmc   +1 more source

Noncovalent Interactions-Driven Self-Assembly of Polyanionic Additive for Long Anti-Calendar Aging and High-Rate Zinc Metal Batteries. [PDF]

Adv Sci (Weinh)
Yang Z, Sun Y, Li J, He G, Chai G.
europepmc   +1 more source