Results 141 to 150 of about 23,057 (226)

Charge-dipole bound anion-anion complexes. [PDF]

J Mol Model
Murray JS, Clark T.
europepmc   +1 more source

Metabolic Phenotyping Identifies Responders to Sustainable Healthy Diets: Analysis from the MyPlanetDiet Randomized Controlled Trial. [PDF]

Curr Dev Nutr
Davies KP, Gibney ER, Leonard UM, Lindberg L, Woodside JV, Kiely ME, Nugent AP, Arranz E, Conway MC, McCarthy SN, O'Sullivan AM.   +10 more
europepmc   +1 more source

Nuclear-Electronic Orbital Coupled Cluster Theory with the Nuclear Hartree Product Representation for Multiple Quantum Nuclei and Application to Geometric Isotope Effects. [PDF]

J Chem Theory Comput
Goudy RJ, Hammes-Schiffer S.
europepmc   +1 more source

Bioactive and Molecular Characterization of Mealworm (<i>Tenebrio molitor</i>) Powder: Nutritional and Functional Implications for Crackers. [PDF]

Int J Mol Sci
Zielińska E, Jakubczyk A, Jaglińska K, Polak B.   +3 more
europepmc   +1 more source

Multi-GPU MBE(3)-OSV-MP2 for Performant Large-Scale Ab Initio Calculations. [PDF]

J Chem Theory Comput
Liang Q, Yang J.
europepmc   +1 more source

MP2 Study of Cation-(pi)n-pi Interactions (n = 1-4).

[eng] Ab initio calculations at the MP2(full)/6-31++G**, RI-MP2(full)/6-31++G**, and RI-MP2(full)/6-311++G- (2d,2p) levels of theory demonstrate important synergic effects between two noncovalent interactions that involve aromatic rings, that is, cation ...
Costa Torres, Antonio, Ballester Balaguer, Pablo José, Quinonero Santiago, David id, Deyà Serra, Pere Maria, Garau Rosselló, Carolina, Frontera Beccaria, Antonio   +5 more
core   +1 more source

PET Micro(nano)plastics Modulate Metformin-Albumin Binding and Species-Specific Bacterial Responses. [PDF]

Int J Mol Sci
Saygin H, Aydin E, Baysal A.
europepmc   +1 more source

The Metallophilicity Phenomenon: The Interplay of Steric, Orbital, Dispersion, and Electronic Correlation Effects in Closed-Shell Metal-Metal Contacts. [PDF]

Inorg Chem
Gutiérrez-Sánchez N, Miranda-Rojas S, Mendizabal F.   +2 more
europepmc   +1 more source

Switching Site Selectivity in Alkoxyamine Hydration: From Lone-Pair Direction to Solvent Network Dominance. [PDF]

J Am Chem Soc
Baroncelli F, Evangelisti L, López JC, Blanco S, Maris A, Melandri S.   +5 more
europepmc   +1 more source

Polyvinyl-based hole-transporting materials processed with non-destructive and green solvents for tin-lead perovskite solar cells and all-perovskite tandems. [PDF]

Chem Sci
Liu J, Zhao Y, Zhan L, Zhang S, Tang H, Ma R, Long X, Zhou L, Zhu Q, Yang S, Zhu W, Wu Y.   +11 more
europepmc   +1 more source