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M+ + X-2(-) reaction system involves two potential energy surfaces, i.e., the covalence state(M+X-2) and the ionic state(M++X-2(-)) and their crossing effect, The working equations for calculating state-to-state probability have been derived based on the above two-state model, The selected-state reaction probabilities of collinear ion-pair formation process M+I-2 --> M+ +I-2(-) (M = Na, K, Cs) on Aten-Lanting-Los two-state potential energy surface have been calculated. The results show that the reaction probabilities are of resonance effect. [author_in] => [Ma, W.-Y] Institute of Theoretical Chemistry, Shandong University, Jinan, 250100, China, Department of Chemical Engineering, Shandong Institute of Light Industry, Jinan, 250100, China@@@[ Cai, Z.-T] Institute of Theoretical Chemistry, Shandong University, Jinan, 250100, China@@@[ Feng, D.-C] Institute of Theoretical Chemistry, Shandong University, Jinan, 250100, China@@@[ Deng, C.-H] Institute of Theoretical Chemistry, Shandong University, Jinan, 250100, China [pub_date] => MAY [format_title_en_publication_en_pub_year] => 01150d99dcf7cc7e89eb21937e27aa54-831692535 [from_id] => 76,74,73,80,78,85 [issue] => 5 [hx_id] => 2376,2378,2371 [classification_pub] => KTHPD [datebase] => Scopus [sys_level_num] => 1_4 [sys_jg_type] => 0,5 [format_issn_issue_page_pub_year] => dc1b6525eed0b9e672cd8ed3072b19f74238320 [title_en] => The quantum scattering study for ion-pair formation reaction with LCAC-SW method [volume] => 20 [author_fn] => Ma, WY; Cai, ZT; Feng, DC; Deng, CH [pub_year] => 1999 [article_id] => 213702,583486,3363,400978,497596,334140 [hints] => 2 [publisher] => HIGHER EDUCATION PRESS [language] => Chinese [source_type] => 351 [reference_No] => 6 [batch] => 3250,3241,3254,3246,3243,3252 [publication_en] => CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE [school_id] => 117 [sys_update_time] => 2018-09-05 15:28:36 [format_title_en_issn_pub_year] => 2e0aba09b12d8be864572c7482b7b742280124234 [format_ei_No] => 2b51d7438b637f14acc15d630ed12ea41321052191 [SYS_TAG] => 3 [page] => 138-140 [hb_type] => 2 [article_dt] => Letter [cite_wos] => 2 [check_3Y] => 0 [delivery_No] => 198MU [format_title] => 138d019b6bc006c5016ad404c9a3b481-798020738 [cauthor_ad] => [Ma, WY]Shandong Univ, Inst Theoret Chem, Jinan 250100, Peoples R China. [pages] => 3 [publication_29] => CHEM J CHINESE U [end_page] => 799 [publication_type] => J [begin_page] => 797 [get_data] => 2018-08-29 [keyword_en] => ion-pair formation; reaction probabilities; LCAC-SW method [format_publication_cn] => 112be9cb2f30361719ed2bc572ba4a22192440272 [publication_iso] => Chem. J. Chin. Univ.-Chin. [format_title_en] => 38f6d8c2b26a00e6f3b3e221e22baccb-1404889632 [publisher_city] => BEIJING [cite_awos] => 2 [wos_No] => WOS:000080428600031 [sys_priority_field] => 76 [wos_sub] => Chemistry, Multidisciplinary [research_area] => Chemistry [check_180] => 0 [publisher_ad] => SHATANHOU ST 55, BEIJING 100009, PEOPLES R CHINA [format_publication_en] => 4eabdd9afe3fe566a165b6e1c3e0dbbd-130083487 [jl_language] => chinese [jl_article_dt] => letter [jl_publication_en] => chemicaljournalofchineseuniversitieschinese [jl_country] => 中国 [jl_keyword_en] => reactionprobabilities,lcacswmethod,ionpairformation [jl_publisher] => highereducationpress [author_jg] => [马万勇,蔡政亭,冯大成,邓从豪]山东大学理论化学研究所,山东轻工业学院化工系 [keyword_cn] => 离子对生成;反应几率;LCAC-SW方法 [clc] => O643 [title_cn] => 离子对生成反应的LCAC-SW量子散射理论研究 [publication_cn] => 高等学校化学学报 [CSSN] => 22-1131/O6 [abstract_cn] => 离子对生成反应微观动力学的理论和实验研究有助于从本质上揭示气相、液相及上层空间大气化学反应机理.实验上已经发展到用激光-交叉分子束技术研究其态-态过程;理论上则主要是采用准经典轨迹法.由于这类反应是电子非绝热过程,涉及到共价态和离子态两个势能面及其耦... [author_cn] => 马万勇,蔡政亭,冯大成,邓从豪 [uri] => https://www.scopus.com/inward/record.uri?eid=2-s2.0-0345880689&partnerID=40&md5=01f341cefcc5e038e11305ccb0b90775 [jl_publication_cn] => 高等学校化学学报 [jl_keyword_cn] => 离子对生成,反应几率,lcacsw方法 [jl_clc] => o643 [company_id] => 0,0,0,0,0,0,0,0 [author_id] => [author_test] => Array ( ) [sys_author_id_arr] => [jl_publication_cn_publication_en] => chemicaljournalofchineseuniversitieschinese,高等学校化学学报 [jl_keyword_cn_keyword_en] => 离子对生成,反应几率,ionpairformation,lcacswmethod,lcacsw方法,reactionprobabilities [format_scopus_No] => 93d9b5bf09ce2cc5d06e2e952c4e33a2704217273 [format_wos_No] => 3c598c78e5a06731e00e41b30636c14a-1348391272 [standard_in] => Institute of Theoretical Chemistry, Shandong University, Jinan, 250100, China; Department of Chemical Engineering, Shandong Institute of Light Industry, Jinan, 250100, China [scopus_No] => 2-s2.0-0345880689 [format_title_cn_publication_cn_pub_year] => 74a93d03bed4819950721b59eff0b01893759334 [format_title_cn_issn_pub_year] => a72e6c26481cf94b5a1c0f3d26dff73a-1397311027 [sys_author_jg_last_arr] => 山东轻工业学院化工系 [sys_author_in_last_arr] => china [sys_author_id] => [id] => lQd5vWUBFjIhTVEbiEgl [tags] => 0 ) [7] => Array ( [batch2] => 1,2,6 [batch] => 3243,3241,3254,3252 [tag] => 0 [abstract_cn] => 树枝状化合物具有规整的结构,其分子体积、形状和功能基可在分子水平上精确控制[1].它的出现对于经典的有机高分子界是一个冲击,它是化学、生命科学和材料科学等多学科的交叉点,成为当前学术界的一大研究热点.我国这方面的研究起步较晚,至今仅有陈永明[2]、薄...更多还原 [keyword_cn] => 树枝状化合物;液晶;Sc相;硅碳烷; [clc] => O627.41 O753.2 [author_jg] => [张其震;王艳]山东大学化学系,中国 [format_title_cn_publication_cn_pub_year] => 63015fc9af7a87321140d30a9402b7c71538963195 [from_id] => 76,80,73,85 [issue] => 7 [sys_level_num] => 2_1 [sys_jg_type] => 10,5 [source_type] => 351 [pub_year] => 1998 [article_id] => 498033,202876,3361,334409 [pages] => 3 [hints] => 7 [author_cn] => 张其震;王艳 [issn] => 0251-0790 [uri] => http://lib.cqvip.com/qk/90335X/199807/3153444.html [publication_cn] => 高等学校化学学报 [title_cn] => 含Sc相硅碳烷树枝状分子液晶 [CSSN] => 22-1131/06 [SYS_TAG] => 3 [format_title_cn_issn_pub_year] => 8a2e366882b423b1c6f30c8237274421-90327086 [hb_type] => 2 [jl_publication_cn] => 高等学校化学学报 [jl_country] => 中国 [jl_keyword_cn] => ,硅碳烷,sc相,树枝状化合物,液晶 [jl_clc] => o62741o7532 [author_in] => [Zhang, Q.-Z] Department of Chemistry, Shandong University, Jinan 250100, China@@@[ Sun, J.-R] Department of Chemistry, Shandong University, Jinan 250100, China@@@[ Wang, D.-Q] Dept. of Enviromental Engineering, Shandong University, Jinan 250100, China@@@[ Wang, Y] Analysis and Test Centre, Shandong Normal University, Jinan 250014, China@@@[ Li, G] Changchun Inst. of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, China [company_id] => 0,43,169 [author_id] => 24338,24337 [author_test] => Array ( [0] => Array ( [sure] => 0 [irmagnum] => 0 [u_index] => 2 [name] => 王艳 [irtag] => 7 [t_index] => 0 [person_id] => 24337 ) [1] => Array ( [sure] => 0 [irmagnum] => 0 [u_index] => 2 [name] => 王艳 [irtag] => 7 [t_index] => 0 [person_id] => 24338 ) ) [sys_author_id_arr] => [jl_publication_cn_publication_en] => 高等学校化学学报 [jl_keyword_cn_keyword_en] => 硅碳烷,液晶,树枝状化合物,sc相 [sys_author_id] => [hb_batch] => grant_no [cite_wos] => 16 [publication_en] => CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE [check_3Y] => 0 [language] => Chinese [delivery_No] => 102LD [cauthor_ad] => [Zhang, QZ]Shandong Univ, Dept Chem, Jinan 250100, Peoples R China. [format_title] => 86e8b807e09d7043cd4390a9605ca7041520974346 [author_fn] => Zhang, QZ; Sun, JR; Wang, DQ; Wang, Y; Li, G [cite_wanfang] => 29 [format_title_en_issn_pub_year] => aa73dc3792f216500967025b0f118c0d2128618736 [datebase] => Scopus [format_scopus_No] => aa7085c6d6b77b64c515fb3e9dd5f09e75877797 [publication_29] => CHEM J CHINESE U [end_page] => 1177 [abstract_en] => A liquid crystalline carbosilane dendrimer with Sc* phase has been synthesized in successive steps, resulting in the formation of defined, unimolecular compound. Twelve biphenyl mesogenic units were attached on its periphery and it has a three dimentional, treelike starburst structure. Its phase behavior was K95S(c)*103Ch118I. Compared.with its biphenyl mesogenic unit , 4-(2\'-methylbutyl)-4\'-(omega-hydroxyhexyl) azobenzene , which was melted at 128 degrees C and is not a liquid crystal, it is a good liquid crystal material with Sc* phase. [article_dt] => Letter [publication_type] => J [begin_page] => 1175 [author_en] => Zhang, QZ; Sun, JR; Wang, DQ; Wang, Y; Li, G [volume] => 19 [publisher] => HIGHER EDUCATION PRESS [get_data] => 2018-08-29 [keyword_en] => dendrimer; liquid crystal; S-c* phase [page] => 1175-1177 [format_publication_cn] => 112be9cb2f30361719ed2bc572ba4a22192440272 [publication_iso] => Chem. J. Chin. Univ.-Chin. [format_title_en_publication_en_pub_year] => 41b8936858cf162461174bc08497f98e417331329 [format_title_en] => 4b76b22648f1ad6683360a2eb2b2595f-608835982 [publisher_city] => BEIJING [pub_date] => JUL [cauthor_order] => 1 [hx_id] => 2378,2371 [reference_No] => 8 [format_issn_issue_page_pub_year] => f140218eb957799f2a908e75dfc81d60-461714930 [cite_awos] => 16 [wos_No] => WOS:000074925100040 [classification_pub] => KTHPD [format_wos_No] => bbd0d883c68e7e80544a376b76f15fdf-2140575142 [wos_sub] => Chemistry, Multidisciplinary [research_area] => Chemistry [cauthor_back] => Zhang, QZ [check_180] => 0 [publisher_ad] => SHATANHOU ST 55, BEIJING 100009, PEOPLES R CHINA [standard_in] => Department of Chemistry, Shandong University, Jinan 250100, China; Dept. of Enviromental Engineering, Shandong University, Jinan 250100, China; Analysis and Test Centre, Shandong Normal University, Jinan 250014, China; Changchun Inst. of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, China [scopus_No] => 2-s2.0-2842561640 [title_en] => Studies on carbosillane liquid crystalline dendrimer with S-c* phase [format_publication_en] => 4eabdd9afe3fe566a165b6e1c3e0dbbd-130083487 [jl_article_dt] => letter [sys_subject_sort] => 0,0 [college_parent_id] => 43,169 [company_test] => Array,Array [id] => two0vmUBFjIhTVEbSvUX [tags] => 0 ) ) 1-->
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