Direct (through-space) and indirect (through-bridge) components of the chemical bond multiplicities

2011 ◽  
Vol 112 (11) ◽  
pp. 2355-2370 ◽  
Author(s):  
Roman F. Nalewajski
Keyword(s):  
Chemical Bond ◽  
Chemical Bond Multiplicities ◽  
Bond Multiplicities

Density functionals and chemical bond, diatomic molecules

1989 ◽  
Vol 86 ◽  
pp. 853-859 ◽  
Author(s):  
Federico Moscardó ◽  
José Pérez-Jordá ◽  
Emilio San-Fabián
Keyword(s):  
Chemical Bond ◽  
Diatomic Molecules ◽  
Density Functionals

The Chemical Bond Across the Periodic Table: Part 1 – First Row and Simple Metals

2020 ◽  
Author(s):  
Gabriel Freire Sanzovo Fernandes ◽  
Leonardo dos Anjos Cunha ◽  
Francisco Bolivar Correto Machado ◽  
Luiz Ferrão
Keyword(s):  
Physical Chemistry ◽  
Chemical Bond ◽  
Materials Science ◽  
Chemical Elements ◽  
Orbital Theory ◽  
Solid State Physics ◽  
Band Theory ◽  
Van Der Waals Clusters ◽  
Earth Systems ◽  
Chemical Content

<p>Chemical bond plays a central role in the description of the physicochemical properties of molecules and solids and it is essential to several fields in science and engineering, governing the material’s mechanical, electrical, catalytic and optoelectronic properties, among others. Due to this indisputable importance, a proper description of chemical bond is needed, commonly obtained through solving the Schrödinger equation of the system with either molecular orbital theory (molecules) or band theory (solids). However, connecting these seemingly different concepts is not a straightforward task for students and there is a gap in the available textbooks concerning this subject. This work presents a chemical content to be added in the physical chemistry undergraduate courses, in which the framework of molecular orbitals was used to qualitatively explain the standard state of the chemical elements and some properties of the resulting material, such as gas or crystalline solids. Here in Part 1, we were able to show the transition from Van der Waals clusters to metal in alkali and alkaline earth systems. In Part 2 and 3 of this three-part work, the present framework is applied to main group elements and transition metals. The original content discussed here can be adapted and incorporated in undergraduate and graduate physical chemistry and/or materials science textbooks and also serves as a conceptual guide to subsequent disciplines such as quantum chemistry, quantum mechanics and solid-state physics.</p>

Hybridization Theory of L. Pauling, Chemical Bond and Quantum Mechanics

2019 ◽  
Author(s):  
Volodymyr Bezverkhniy ◽  
Vitaliy Bezverkhniy
Keyword(s):  
Quantum Mechanics ◽  
Chemical Bond ◽  
Hybridization Theory

Symmetry decomposition of quantum chemical bond orders

2008 ◽  
Vol 870 (1-3) ◽  
pp. 1-9 ◽  
Author(s):  
Olga V. Sizova ◽  
Leonid V. Skripnikov ◽  
Alexander Yu. Sokolov
Keyword(s):  
Chemical Bond ◽  
Quantum Chemical ◽  
Bond Orders

scholarly journals Fabrication of multiperiod Si/SiO2/Ge layered structure through chemical bond manipulation

1998 ◽  
Vol 72 (24) ◽  
pp. 3169-3171 ◽  
Author(s):  
K. Prabhakaran ◽  
T. Matsumoto ◽  
T. Ogino ◽  
Y. Masumoto
Keyword(s):  
Chemical Bond ◽  
Layered Structure

Prediction of Commitment to the Chemical Bond Approach to Teaching

1968 ◽  
Vol 37 (2) ◽  
pp. 82-88 ◽  
Author(s):  
Cynthia V. L. Ward
Keyword(s):  
Chemical Bond ◽  
Approach To Teaching

scholarly journals Part-crystalline part-liquid state and rattling-like thermal damping in materials with chemical-bond hierarchy

2014 ◽  
Vol 111 (42) ◽  
pp. 15031-15035 ◽  
Author(s):  
Wujie Qiu ◽  
Lili Xi ◽  
Ping Wei ◽  
Xuezhi Ke ◽  
Jihui Yang ◽  
...  
Keyword(s):  
Chemical Bond ◽  
Liquid State
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