Net Laboratory of Computational Chemistry

Welcome to
Orbuculum that is Crystall Ball.
It breaks the common chemistry packages' paradigm of Black Box. Here, we give access to calculations' details, like form of the involved orbitals, overlap integrals, further parameters used in calculation... The service is permanently under construction.


Now we have a periodic table in the form (9x18 with blanks). It is to be made clickable so that the element selection is done by a click.
1H2He
3Li4Be5B6C7N8O9F10Ne
11Na12Mg13Al14Si15P16S17Cl18Ar
19K20Ca21Sc22Ti23V24Cr25Mn26Fe27Co28Ni29Cu30Zn31Ga32Ge33As34Se35Br36Kr
37Rb38Sr39Y40Zr41Nb42Mo43Tc44Ru45Rh46Pd47Ag48Cd49In50Sn51Sb52Te53I54Xe
55Cs56Ba57La72Hf73Ta74W75Re76Os77Ir78Pt79Au80Hg81Tl82Pb83Bi84Po85At86Rn
87Fr88Ra89Ac104Rf105Db106Sg107Bh108Hs109Mt110Ds111Rg112Cn113Nh114Fl115Mc116Lv117Ts118Og
Lantanoides 58Ce59Pr60Nd61Pm62Sm63Eu64Gd65Tb66Dy67Ho68Er69Tm70Yb71Lu
Actinoides 90Th91Pa92U93Np94Pu95Am96Cm97Bk98Cf99Es100Fm101Md102No103Lr

For the time being: Please type in the atomic number (left subscript) of the element for which you want to access information about its MAP basis set:


and press the button.
Otherwise insert atomic numbers for two elements


and press the button to access properties of this pair as derived from their respective MAP basis sets.