{"id":1319,"date":"2011-11-16T09:33:48","date_gmt":"2011-11-16T00:33:48","guid":{"rendered":"http:\/\/www.qcri.or.jp\/lab\/?page_id=1319"},"modified":"2024-12-19T14:51:00","modified_gmt":"2024-12-19T05:51:00","slug":"force-concept","status":"publish","type":"page","link":"https:\/\/qcri.or.jp\/lab_en\/english\/research\/force-concept","title":{"rendered":"Force Concept"},"content":{"rendered":"<div id=\"paragraph2\">\n<p>\u00a0 \u00a0Nakatsuji proposed a conceptual force model, called ESF (electrostatic force) model for molecular geometries and chemical reactions. The Hellmann-Feynman theorem (electrostatic theorem) states that the force acting on the nucleus A is the vector sum of the repulsive electrostatic forces due to the other nuclei B in the molecule and the attractive forces exerted on the nucleus A from the negatively charged electron cloud of the molecule.<\/p>\n<p>The ESF model predicts the molecular geometry and the course of the chemical reaction by considering the vector sum of these forces on the constituent nuclei.<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"alignnone\" src=\"https:\/\/qcri.or.jp\/lab\/imgs\/ESF1.png\" alt=\"Illustration of Force Concept\" width=\"668\" height=\"152\" \/><\/p>\n<hr \/>\n<div id=\"reference\"><strong>References<\/strong><\/div>\n<ul>\n<li>Electrostatic Force Theory for a Molecule and Interacting Molecules I. Concept and Illustrative Applications, H. Nakatsuji, J. Am. Chem. Soc., 95(2), 345 (1973).<\/li>\n<li>Force Models for Molecular Geometry, H. Nakatsuji and T. Koga, in The Force Concept in Chemistry, B. M. Deb, Ed. (Van Nostrand Reinhold, New York,1981), Chap.3, pp. 137-217.<\/li>\n<li>Common Natures of the Electron Cloud of the System Undergoing Change in Nuclear Configuration, H. Nakatsuji, J. Am. Chem. Soc., 96(1), 24 (1974).<\/li>\n<li>Force in SCF Theories, H. Nakatsuji, K. Kanda, and T. Yonezawa, Chem. Phys. Lett., 75(2), 340 (1980).<\/li>\n<li>Force in SCF Theories. Second Derivative of Potential Energy, H. Nakatsuji, K. Kanda, and T. Yonezawa, J. Chem. Phys., 77, 1961 (1982).<\/li>\n<\/ul>\n<\/div>\n","protected":false},"excerpt":{"rendered":"<p>\u00a0 \u00a0Nakatsuji proposed a conceptual force &hellip; <a href=\"https:\/\/qcri.or.jp\/lab_en\/english\/research\/force-concept\">\u7d9a\u304d\u3092\u8aad\u3080 <span class=\"meta-nav\">&rarr;<\/span><\/a><\/p>\n","protected":false},"author":2,"featured_media":0,"parent":1543,"menu_order":100,"comment_status":"closed","ping_status":"open","template":"","meta":{"footnotes":""},"class_list":["post-1319","page","type-page","status-publish","hentry"],"_links":{"self":[{"href":"https:\/\/qcri.or.jp\/lab_en\/wp-json\/wp\/v2\/pages\/1319","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/qcri.or.jp\/lab_en\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/qcri.or.jp\/lab_en\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/qcri.or.jp\/lab_en\/wp-json\/wp\/v2\/users\/2"}],"replies":[{"embeddable":true,"href":"https:\/\/qcri.or.jp\/lab_en\/wp-json\/wp\/v2\/comments?post=1319"}],"version-history":[{"count":6,"href":"https:\/\/qcri.or.jp\/lab_en\/wp-json\/wp\/v2\/pages\/1319\/revisions"}],"predecessor-version":[{"id":3944,"href":"https:\/\/qcri.or.jp\/lab_en\/wp-json\/wp\/v2\/pages\/1319\/revisions\/3944"}],"up":[{"embeddable":true,"href":"https:\/\/qcri.or.jp\/lab_en\/wp-json\/wp\/v2\/pages\/1543"}],"wp:attachment":[{"href":"https:\/\/qcri.or.jp\/lab_en\/wp-json\/wp\/v2\/media?parent=1319"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}