Results 101 to 110 of about 2,411 (145)

Quantum Pharmacophore-Based Virtual Screening Enables Prospective Discovery of Chemotype-Diverse Dengue NS5 Inhibitors. [PDF]

J Chem Inf Model
Martinov MN, Van Den Bergh A, Jacoby E, Kirov I, Nashev LG, Herasymenko O, Arrowsmith CH, Slater JW, Grell T, Maksimchuk K, Hack MD, Wu Z, Ohadi D, Borrenberghs D, Van Loock M, Mulakala C, Goethals O.   +16 more
europepmc   +1 more source

Nitrogen Fixation by MoSn₃ and MoSn₅ Clusters. [PDF]

ACS Omega
Salazar-Barrientos JI, Salazar-Barrientos TV, Cummings PT, Guevara-Vela JM, Rocha-Rinza T.   +4 more
europepmc   +1 more source

DFT study on tunable electronic and adsorption properties of poly(vinyl alcohol)/copper oxide/graphene oxide hybrid nanostructures. [PDF]

Sci Rep
Ibrahim A, El Aal MA, El-Zahed H, Mabied AF.   +3 more
europepmc   +1 more source

Modulating the Electronic Structure and Global Reactivity of Nitrogen/Boron Co-Doped Graphene Oxide: A Density Functional Theory Study for Enhanced Gas Sensing Applications. [PDF]

Molecules
Bakry AM, El-Sherif LS, Rezk H, Hassaballa S, Elhaes H, Ibrahim MA.   +5 more
europepmc   +1 more source

Cooperative Effects in the Inverse Coordination Complexes of Aromatic Azines and Tin(IV) Halides. [PDF]

J Phys Chem A
Matczak P.
europepmc   +1 more source

Theoretical Insights into the Stability and Electronic Properties of Sc₃N@C₇₄. [PDF]

ACS Omega
Gu YX, Wan JY, Gao BQ, Li DH, Li MY, Guo Y.   +5 more
europepmc   +1 more source

Effects of sequential microhydration on thymine tautomerization. [PDF]

J Mol Model
Queiroz MH, Alves TV, Rivelino R.
europepmc   +1 more source

DL_FFLUX Refactored: Accelerating Quantum Chemical Topology Simulations With Optimized Parallelization. [PDF]

J Comput Chem
Nosratjoo M, Bane MK, Popelier PLA.
europepmc   +1 more source