Results 111 to 120 of about 679,725 (183)

Insights into Hydrogen Diffusion Characteristics and Interactions with Vacancy in Fe Crystal Lattices from First-Principles Calculations. [PDF]

Materials (Basel)
Feng Y, He M, Huang G, Zhao W, Cai Z, Zhang D, Bao J.   +6 more
europepmc   +1 more source

A Mechanistic Insight into the Molecular Mechanism of the Thermal Decomposition of Nitroalkyl Phosphates: MEDT Computational Study. [PDF]

Materials (Basel)
Woliński P, Dresler E, Jasiński R.
europepmc   +1 more source

Computational Screening of Amino-Functionalized Molecules for Direct Air Capture of CO₂. [PDF]

J Phys Chem A
Li C, Vernuccio S, Moghadam PZ.
europepmc   +1 more source

Theoretical insights into the stability and nature of nonconventional C-H⋯Y (Y[double bond, length as m-dash]N, P, As, Sb) hydrogen bonds in haloform-pnictogen trihydride complexes. [PDF]

RSC Adv
Pham KN, Anh Thu DT, Ai BD, Trung NT.
europepmc   +1 more source

Understanding the formation mechanism and structural aspects of anti-cancer drug platinum uracil blue by quantum chemical studies. [PDF]

RSC Adv
Ghatak A, Banerjee S.
europepmc   +1 more source

LIGO Core-Collapse Supernova Detection Using Convolutional Neural Networks. [PDF]

Sensors (Basel)
Pan Z, Zahraoui EM, Maturana-Russel P, Cabrera-Guerrero G.   +3 more
europepmc   +1 more source

Contact Cluster Modeling of Allosteric Communication in PDZ Domains. [PDF]

J Phys Chem B
Dorbath E, Rudolf F, Gulzar A, Stock G.
europepmc   +1 more source

Estimating the Hydrogen Bond Strength by Machine Learning Approaches. [PDF]

ACS Omega
Samangani N, Zahn S.
europepmc   +1 more source

Atomic-scale structure of gadolinium in nanocrystalline fluorapatite from marine sediments.

Environ Sci Nano
Manceau A, Giacomelli A, Li Y, Gaillot AC, Liao J, Spadini L, Simionovici A, Koschinsky A, Mathon O, Steinmann SN.   +9 more
europepmc   +1 more source