Molecular dynamics simulation study of NH4+ and NH2− in liquid ammonia: interaction potentials, structural and dynamical properties
Sign Up to like & getrecommendations! Published in 2022 at "Journal of Molecular Modeling"
DOI: 10.1007/s00894-022-05110-1
Abstract: We provide tailor-made GAFF2-type interaction potentials for modeling ammonium and amide ions in ammonia. Based on harmonic approximation of intra-molecular bond stretching and bending, our force fields nicely reproduce the vibrational modes of NH4+ and… read more here.
Keywords: interaction potentials; liquid ammonia; nh4 nh2;
Synthesis, structure, and characterization of a mixed amines thiogermanate [NH4]2[NH2(CH3)2]2Ge2S6
Sign Up to like & getrecommendations! Published in 2020 at "Polyhedron"
DOI: 10.1016/j.poly.2020.114486
Abstract: Abstract A mixed amines thiogermanate, namely (NH4)2[NH2(CH3)2]2Ge2S6 has been successfully synthesized by solvothermal reaction. Single crystal X-ray diffraction indicates the compound crystallizes in monoclinic space group P21/c with the lattice parameters: a = 6.9647(14) A, b = 15.719(3) A, c = 7.2042(14) A, β = 92.76(3)°.… read more here.
Keywords: mixed amines; amines thiogermanate; nh2 ch3; structure ... See more keywords