Results 331 to 340 of about 5,323,640 (377)

LAGNet: better electron density prediction for LCAO-based data and drug-like substances. [PDF]

J Cheminform
Ushenin K, Khrabrov K, Tsypin A, Ber A, Rumiantsev E, Kadurin A.   +5 more
europepmc   +1 more source

Entanglement and coherence in pure and doped Posner molecules. [PDF]

Sci Rep
Adams B, Sinayskiy I, Agarwal S, Petruccione F.   +3 more
europepmc   +1 more source

Correction: DeepGANnel: Synthesis of fully annotated single molecule patch-clamp data using generative adversarial networks. [PDF]

PLoS One
Ball STM, Celik N, Sayari E, Abdul Kadir L, O'Brien F, Barrett-Jolley R.   +5 more
europepmc   +1 more source

Moldrug algorithm for an automated ligand binding site exploration by 3D aware molecular enumerations. [PDF]

J Cheminform
Martínez León A, Ries B, Hub JS, Magarkar A.   +3 more
europepmc   +1 more source

The microbiological degradation of steroids; fission of the steroid molecule.

, 1948
G E Turfitt
openalex  

Using GNN property predictors as molecule generators. [PDF]

Nat Commun
Therrien F, Sargent EH, Voznyy O.
europepmc   +1 more source

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Infrared light on molecule-molecule and molecule-surface collisions

Physical Review A, 2015
By analyzing measured infrared absorption of pure $\mathrm{C}{\mathrm{H}}_{4}$ gas under both ``free'' (large sample cell) and ``confined'' (inside the pores of a silica xerogel sample) conditions we give a demonstration that molecule-molecule and molecule-surface collisions lead to very different propensity rules for rotational-state changes.
Tran, H., Auwera, J. Vander, Landsheere, X., Ngo, N. H., Pangui, E., Morales, S. B., Hamzaoui, H. El, Capoen, B., Bouazaoui, M., Boulet, C., Hartmann, And J.-M.   +10 more
openaire   +5 more sources