Building a new reasonable molecular theory⊗.

CONTEXT: This article intends to show a new way to setup and solve chemical bonds which can be incorporated into molecules. The new approach is analytical and purely based on simple math and science. We need analytical methods in our molecular theory which can be used to obtain results with our eyes open to the process. The utilization of computer software is fine as long as the user understands what the software is exactly doing. An analytical molecular theory can be utilized in different areas of science including chemistry. It can be also an asset in classrooms to better train our future generations, making them better "thinkers" and ready to tackle the complicated issues in our changing world. This article first introduces a new analytical approach to study chemical bonds and then goes through several examples of chemical bonds to show the applicability of the suggested approach. METHODS: All of the calculations and figures presented in this article are done by the use of Microsoft excel spreadsheet. The presented approach does not need any sophisticated software and/or heavy computations.

Building a new reasonable atomic theory.

CONTEXT: This article is an initiation to build reasonable atomic/molecular theory to study chemicals utilized in different sectors of science including chemistry, biology, and medicine as well as the material science. It is all about opening new pathways and method-developments which need to be simple, reasonable, rational, and applicable to all chemicals and be closely consistent with the experimental data and real world. Hence, the success may simplify the process and eliminate the need to sophisticated software and heavy computations. The article first reviews the current classical atomic theory, and discusses some of its flaws. Then, it suggests a more reasonable approach through several presented simple formulas which would generate results consistent with the experimental data. Finally, the article goes through some examples, cases, and details to present the differences between the new suggested approach and the current classical atomic theory. Building new pathways would help not only with the ongoing scientific achievements but it would also help in classrooms and the education of next future generations. METHODS: All of the calculations and figures presented in this article are done by simple calculators and the use of Microsoft software including excel spreadsheet. The presented atomic theory does not need any sophisticated software and/or heavy computations. If desired, one can also use a simple personal programing technique to generate the desired results. So the key is in better understanding of the subjects and not in development of complicated computational tools and theoretical techniques. This article did not use any of the usual ab initio or DFT, or basis sets, or force field molecular-dynamics techniques. The focus of this article is mainly atomic theory which will expand to molecular theory in future articles.

Atomic excited states and the related energy levels.

This article is about generalization and extension of the Bohr atomic model as well as the Rydberg formula to make them applicable to all atomic/ionic excited states and their energy levels. Bohr and Rydberg's original works were deemed only for hydrogen and the hydrogen-like ions but in time many mistakenly have come to the conclusion that those original forms of the theory are applicable to all species. This article clarifies the subject and helps with the misunderstandings. The article reviews first the original theory of atoms, the related excited states, and the related energy levels. It then shows the shortcoming of the original formulations and makes changes to generalize the theory and extend their applications to all atoms and their related ions. The theory of atomic excited states is re-formulated using a newly defined parameter called "characteristic exponent k" and the corresponding ionization energy. Numerical calculations and detailed works for several elements are presented to establish a better understanding of excited states. The article seeks also for a connection between the atomic energy levels and the internal structures and inner electrons of atoms. Furthermore, a small data bank is generated using the calculated "characteristic exponents k" for elements to be utilized for future simulations, studies, and research activities.

Molecular theory considering nuclear potential wells.

This article introduces potential wells around nuclei and their roles in chemical bonds. The approach uses one-electron Bohr atomic model concept. Multi-electron atoms are converted to one-electron atoms by grounding all inactive, non-reacting electrons using the Apparent Nuclear Charge (ANC) and Electron Shielding Effect (ESE) concepts introduced in earlier publications. Then, the resulting two one-electron atoms and their potential wells are utilized to obtain the related chemical bond length. The methodology is applicable to all elements of periodic table without a need for any additional tool. To test the concept, calculated bond lengths were compared to experimental ones for about 90 different bonds, which showed an average error of less than 5%. The article discusses some nontraditional views for chemical bonds which may contradict the traditional beliefs in chemistry. Hopefully, readers would consider the calculated results in support of the presented views. Attached to this article is a computer software program which was prepared with sample input and output files for readers. The software can be utilized to obtain any interested bond length. The software is applicable to all elements in the periodic table up to the element Hassium with the atomic number of 108. Nuclear potential well associated with the electron of hydrogen atom.