Results 101 to 110 of about 57,420 (165)

Effective Core Potentials for Calculations of Continuum Spectra of Molecules Using the Molecular R-Matrix Method. [PDF]

J Chem Theory Comput
Mašín Z, Benda J, Crhán M, Armstrong GSJ, Nelson A, Mohr S, Tennyson J.   +6 more
europepmc   +1 more source

CALPUCK: An Open Python Tool for Cremer-Pople Ring Puckering Analysis Including a New 2D Mapping of Seven-Membered Rings. [PDF]

Chempluschem
Protti F, Toma L, Zanoni G, Casali E.
europepmc   +1 more source

Comparative unfolding of the Trp-cage miniprotein in anionic and cationic surfactants. [PDF]

PLoS One
Nnyigide OS, Byeon H, Okpete UE.
europepmc   +1 more source

Reliability analysis of horseshoe tunnels by radial-based importance sampling method based on complex function displacement solution. [PDF]

PLoS One
Rong Y, Liu Q, Sun Y, Chen X, Zhang X, Li S.   +5 more
europepmc   +1 more source

Positronium Atoms Solvated in Liquid Alcohols: A Multicomponent Quantum Mechanics/Molecular Mechanics Approach. [PDF]

J Phys Chem B
Martins L, Bergami M, Charry J, Reyes A, Coutinho K, Varella MTDN.   +5 more
europepmc   +1 more source

Study on hydration characteristics and micromechanical properties of illite based on molecular dynamics. [PDF]

PLoS One
Li M, Yan Z, Xu Y, Chen Q, Zhou Y, Tang X.   +5 more
europepmc   +1 more source

Radial basis function networks -- revisited [PDF]

, 2015
openaire   +1 more source