Resonance in Interacting Induced-Dipole Polarizing Force Fields: Application to Force-Field Derivatives

Torrens, Francisco; Castellano, Gloria

doi:10.3390/a2010437

Cited by 6 publications

(3 citation statements)

References 37 publications

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“…4 Polarizability offers numerous applications regarding bond energy and chemical reactions. 5 Nagle 6 studied how atomic polarizability can be used in conjunction with the number of s and p valence electrons. A semi-empirical method has been reported by Miller 7 to compute the components of molecular polarizability along with the dipole tensor.…”

Section: Introductionmentioning

confidence: 99%

Atomic polarizability: A periodic descriptor

Choudhary

Ranjan

Chakraborty

2019

Journal of Chemical Research

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Atomic polarizability is an essential theoretical construct to define and correlate many physicochemical properties. It exhibits periodicity and has a relationship with other periodic descriptors. Although a number of scales are available to compute atomic polarizability, the final scale is yet to be designed. In this venture, we have invoked a new empirical approach to compute the atomic polarizability of 103 elements of the periodic table, considering the conjoint action of other periodic descriptors, namely effective nuclear charge (Zeff) and absolute radii (r). The proposed approach is [Formula: see text], where “e” represents the electronic charge, Zeff is the effective nuclear charge, r is the absolute radius, and α is the polarizability. Our computed atomic polarizability follows all sine qua non of the periodicity. Our model significantly exhibits the relativistic effect too. A close agreement between our computed data and other available theoretical and experimental results demonstrates the efficacy of our proposed approach. Furthermore, we have established the polarizability equalization principle in terms of our computed data.

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Section: Introductionmentioning

confidence: 99%

Atomic polarizability: A periodic descriptor

Choudhary

Ranjan

Chakraborty

2019

Journal of Chemical Research

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“…In earlier publications, fractal hybrid-orbital analysis [4,5], resonance [6], molecular diversity [7], PTE [8], law, property, information entropy, molecular classification [9] and simulators [10] were reviewed. In the present report, Qs were raised on the nature of nanominiaturization cultural history and provide facts.…”

Section: Q1 Why Is the Field Of Nanotechnology And Nanoscience Impormentioning

confidence: 99%

Ideas in the History of Nano/Miniaturization and (Quantum) Simulators: Feynman, Education and Research Reorientation in Translational Science

Torrens

Castellano

2015

Proceedings of the 19th International Electronic Conference on Synthetic Organic Chemistry

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Cultural history of nanominiaturization, computing, quantum computing and simulating is necessary to comprehend human character and place it in the whole of living beings. Ideas in the history of physics by Feynman, etc. are valued by the questions that generate. A series of questions, answers and hypothesis introduces the nature of the history of nanominiaturization, providing facts. Nanotechnology adds a third dimension to the periodic table of the elements. Thinking about computers was useful. It must do with learning computers possibilities and physics potential. Provisional conclusions follow. (1) Nature (space-time) is not classical but discrete; quantization is a different kind of mathematics. (2) Nanomaterials differ from conventional ones because of large surface-to-volume ratios and quantum effects. (3) Feynman predicted: (a) in the nanoworld, one has a lot of things that would happen that represent opportunities for design; (b) other way to simulate the probabilistic nature is by a computer, which itself be probabilistic. (4) Problems are temperature and isolation. (5) Advances exist in low-temperature materials and high-energy physics; promises, in superconductivity. (6) Computing possibilities tell people about computer rules and physics. (7) Philosophers work better if they are interested in the data that scientists unveil. (8) Researchers should not be afraid to transcend cultural boundaries in search for the truth.

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“…In this group Valero Molina reported PTE and its relationship with daily life [22]. Earlier publications presented empirical didactics [23][24][25], resonance in interacting induced-dipole polarizing force fields [26], its implementation in chemical education [27] and tool for macromolecular-structure interrogation/retrieval [28]. The objective of the present report is to present a teaching module based on inquiry-based learning for a methodological approximation to PTE study.…”

Section: Introductionmentioning

confidence: 99%

Reflections on the Nature of the Periodic Table of the Elements: Implications in Chemical Education

Torrens

Castellano

2014

Proceedings of the 18th International Electronic Conference on Synthetic Organic Chemistry

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Periodic table of the elements (PTE) results essential to understand our nature and place in whole of beings. The same happens with our food, drugs, materials, etc. Ideas in PTE should be valued by the number of questions that generate. A series of questions is risen to introduce PTE helping creative thinking. A need exists to develop PTE and its education theoretical and experimental research to understand PTE properties and law. Objective of this report is to present a teaching module based on inquiry-based learning: rising questions, answers and working guide for PTE subject study. Work is performed from viewpoint of empirical didactics and uses experiential methodology based on inquiry-based learning. It accomplishes PTE experimental introduction and its application to chemistry, physics and education via atipic examples. Open problem remains in PTE: situating H (in group I but having nothing to do with alkalines). Risk is observed in PTE use. Future trends are analyzed: towards a periodic table of molecules? It is still to be explored methodological application of the approach enriching present teaching techniques: implementing new methods in learning situations is technically simple but checking usefulness in practice of teaching is extraordinarily complex requiring research that hardly began. The PTE represents an opportunity for integrating teaching and research into European Space for Higher Education (ESHE).

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Resonance in Interacting Induced-Dipole Polarizing Force Fields: Application to Force-Field Derivatives

Cited by 6 publications

References 37 publications

Atomic polarizability: A periodic descriptor

Atomic polarizability: A periodic descriptor

Ideas in the History of Nano/Miniaturization and (Quantum) Simulators: Feynman, Education and Research Reorientation in Translational Science

Reflections on the Nature of the Periodic Table of the Elements: Implications in Chemical Education

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