Results 41 to 50 of about 21,330 (112)

Computational chemistry methods based on MNDO and tools for improving their accuracy. [PDF]

J Mol Model
Stewart JJP.
europepmc   +1 more source

Continuously trapped matter-wave interferometry in magic Floquet-Bloch band structures. [PDF]

Nat Commun
Chai X, Nolasco-Martinez E, Liang X, Tanlimco JL, Simmons EQ, Zhu E, Sajjad R, Mas H, Halawani SN, Cao A, Weld DM.   +10 more
europepmc   +1 more source

Non-linearity, complexity, and quantization concepts in biology. [PDF]

Front Hum Neurosci
Theise ND, Tuszynski JA.
europepmc   +1 more source

Measuring Hall voltage and Hall resistance in an atom-based quantum simulator. [PDF]

Nat Commun
Zhou TW, Beller T, Masini G, Parravicini J, Cappellini G, Repellin C, Giamarchi T, Catani J, Filippone M, Fallani L.   +9 more
europepmc   +1 more source

Exploring the interplay of electron density distribution and electrostatic potential in the interaction of nilutamide and flutamide with androgen receptors using quantum crystallography. [PDF]

RSC Adv
Balasubramanian H, Poomani K, Kandasamy S, Hathwar VR, Gonnade RG.   +4 more
europepmc   +1 more source

DFT insights into humic acid coordination of Cd(II) Cu(II) and Pb(II). [PDF]

Sci Rep
Elhaes H, Ibrahim MA.
europepmc   +1 more source

Non-Markovian dynamics in guanidinium-based perovskites. [PDF]

Sci Rep
Triviño H, Mesa F, Zapata S, Rojas EC, Aristizábal AJ.   +4 more
europepmc   +1 more source

Variational approach to open quantum systems with long-range competing interactions. [PDF]

Commun Phys
Hryniuk DA, Szymańska MH.
europepmc   +1 more source

A quantum chemical dataset of interacting molecular pairs for chemical reaction studies. [PDF]

J Cheminform
Jang S, Na GS.
europepmc   +1 more source

Extending quantum-mechanical benchmark accuracy to biological ligand-pocket interactions. [PDF]

Nat Commun
Puleva M, Medrano Sandonas L, Lőrincz BD, Charry J, Rogers DM, Nagy PR, Tkatchenko A.   +6 more
europepmc   +1 more source