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Valence shell electron pair repulsion (VSEPR) theory (/ ˈ v ɛ s p ər, v ə ˈ s ɛ p ər / VESP-ər, [1]: 410 və-SEP-ər [2]) is a model used in chemistry to predict the geometry of individual molecules from the number of electron pairs surrounding their central atoms. [3]
List of software for Monte Carlo molecular modeling; Comparison of software for molecular mechanics modeling; Molecular design software; Molecule editor; Molecular modeling on GPUs; List of software for nanostructures modeling; Semi-empirical quantum chemistry method; Computational chemical methods in solid-state physics, with periodic boundary ...
Like other chlorosilanes or silanes, silicon tetrachloride reacts readily with water: . SiCl 4 + 2 H 2 O → SiO 2 + 4 HCl. The reaction can be noticed on exposure of the liquid to air, as SiCl 4 vapour produces fumes as it reacts with moisture to give a cloud-like aerosol of silica and hydrochloric acid. [6]
High performance GPU-accelerated ab initio molecular dynamics and TD/DFT software package for very large molecular or even nanoscale systems. Runs on NVIDIA GPUs and 64-bit Linux, has heavily optimized CUDA code. Proprietary, trial licenses available PetaChem LLC: TINKER: I Yes Yes Yes Yes I I Yes Yes Software tools for molecular design-Tinker ...
According to VSEPR theory, T-shaped geometry results when three ligands and two lone pairs of electrons are bonded to the central atom, written in AXE notation as AX 3 E 2. The T-shaped geometry is related to the trigonal bipyramidal molecular geometry for AX 5 molecules with three equatorial and two axial ligands.
The handling of this chemical may incur notable safety precautions. It is highly recommend that you seek the Material Safety Datasheet for this chemical from a reliable source, it this case, noting that one should "avoid all contact!
Parasolid is a geometric modeling kernel originally developed by Shape Data Limited, now owned and developed by Siemens Digital Industries Software.It can be licensed by other companies for use in their 3D computer graphics software products.
Square prismatic geometry (D 4h) is much less common compared to the square antiprism.An example of a molecular species with square prismatic geometry (a slightly flattened cube) is octafluoroprotactinate(V), [PaF 8] 3–, as found in its sodium salt, Na 3 PaF 8. [6]