全部成果分类

  • 期刊论文(2)
  • 2002(2)
  • 高等学校化学学...(2)
  • letter(2)

按条件检索“2”条记录

已选条件: 资源类型: 期刊论文 × 出版年: 2002 × 出版物中文: 高等学校化学学报 × 文献类型: letter ×
导出
  • 排序
  • 显示
Na++I-2(-). Resonance energy and width or lifetime for the first resonance peak were calculated. Resonance can be identified to Feshbach resonance and the physical interpretation was given. [author_in] => [Cai, ZT; Ma, WY; Sun, XM; Feng, DC]Shandong Univ, Inst Theoret Chem, Jinan 250100, Peoples R China.@@@[Cai, ZT; Ma, WY; Sun, XM; Feng, DC] Shandong Inst Light Ind, Dept Chem Engn, Jinan 250100, Peoples R China. [publication_type] => J [begin_page] => 1776 [author_en] => Cai, ZT; Ma, WY; Sun, XM; Feng, DC [volume] => 23 [get_data] => 2018-08-29 [publisher] => HIGHER EDUCATION PRESS [keyword_en] => ion-pair formation reaction; quasi-bound ssate; LCAC-SW method; ab; initio [format_publication_cn] => 112be9cb2f30361719ed2bc572ba4a22192440272 [keyword_plu] => COLLISION [publication_iso] => Chem. J. Chin. Univ.-Chin. [format_title_en] => d889aa5b1c8ed92e03170094ac37c4c5-448517467 [publisher_city] => BEIJING [hx_id] => 2377,2371 [reference_No] => 7 [cite_awos] => 4 [wos_No] => WOS:000178056800036 [wos_sub] => Chemistry, Multidisciplinary [research_area] => Chemistry [check_180] => 0 [publisher_ad] => SHATANHOU ST 55, BEIJING 100009, PEOPLES R CHINA [title_en] => Theoretical study on the formation mechanism of resonance state for Na+I-2 -> Na++I-2(-) system [format_publication_en] => 4eabdd9afe3fe566a165b6e1c3e0dbbd-130083487 [jl_language] => chinese [jl_publication_cn] => 高等学校化学学报 [jl_article_dt] => letter [jl_publication_en] => chemicaljournalofchineseuniversitieschinese [jl_country] => 中国,中国 [jl_keyword_en] => initio,lcacswmethod,ab,quasiboundssate,ionpairformationreaction [jl_keyword_cn] => 散射共振态,从头算,lcacsw方法,离子对生成反应 [jl_publisher] => highereducationpress [company_id] => [author_id] => 23586 [author_test] => Array ( [0] => Array ( [sure] => 0 [irmagnum] => 0 [u_index] => 0 [name] => 孙孝敏 [irtag] => 7 [t_index] => 0 [person_id] => 23586 ) ) [sys_author_id_arr] => [cscd_No] => CSCD:1020834 [jl_publication_cn_publication_en] => chemicaljournalofchineseuniversitieschinese,高等学校化学学报 [jl_keyword_cn_keyword_en] => 散射共振态,quasiboundssate,initio,从头算,ab,ionpairformationreaction,lcacswmethod,lcacsw方法,离子对生成反应 [sys_author_id] => [format_cscd_No] => 893d926bf5eef4b2957d4eb6c763fd901350824911 [format_title_en_publication_en_pub_year] => c35bf527bed6460a86edbd21933aac431961883305 [format_wos_No] => 2d14aae2812a8edff0d0421d22038659391315806 [format_title_en_issn_pub_year] => 0d59d9c0554f9646521fe21e8f5bab23-931562251 [id] => UA1GvmUBFjIhTVEbF9Bq [tags] => 0 ) [1] => Array ( [batch2] => 1,2 [batch] => 3250,3249,3241,3254,3252 [tag] => 0 [CSSN] => 22-1131/O6 [keyword_cn] => 质子转移;隧道效应;能级劈裂;可解势函数 [article_id] => 682093,332236,68599,538713,202707 [abstract_cn] => 质子转移(PT)得到了理论和实验方面广泛的研究[1-10],9-羟基苯嵌萘酮(9-HPO)是一个典型体系.在荧光光谱中,观测到氖化的9-HPO的基态能级劈裂,结合其它光谱和X射线衍射数据,提出用四次函数V(R)=A(R4-BR2)作为势能函数[1].迄今,这一势能函数对应的Schr dinger方程还不能精确求解,且得到的结果与实验值[4]有较大差异.本文用可解的六次势V(R,γ)=C[R6+2γR4+(γ2+μ)R2] 来描述该体系质子转移时的势能面,得到这一势能对应的Schr dinger方程的解析解,再用变分法并结合得到的解析解可计算9-HPO的基态能级劈裂. [author_jg] => [刘海英] 山东大学理论化学研究所, 济南, 山东 250100, 中国.@@@[丁世良] 山东大学理论化学研究所, 理论化学计算国家重点实验室, 济南, 山东 250100, 中国 [format_title_cn_publication_cn_pub_year] => a272476196013cbe000e0a4bf15c7f01-513466485 [hints] => 25 [issue] => 5 [sys_level_num] => 2_3 [sys_jg_type] => 0,5 [format_issn_issue_page_pub_year] => f7b068aa35092e274f5339074a48b6941199726577 [source_type] => 351 [pub_year] => 2002 [pub_date] => MAY [pages] => 3 [from_id] => 75,78,73,80,85 [author_cn] => 刘海英,丁世良 [issn] => 0251-0790 [uri] => http://kns.cnki.net/kns/detail/detail.aspx?FileName=GDXH200205045&DbName=CJFQ2002 [publication_cn] => 高等学校化学学报 [title_cn] => 用可解的六次势研究9-羟基苯嵌萘酮的基态能级劈裂 [SYS_TAG] => 3 [format_title_cn_issn_pub_year] => 596a13e0b0c6e0eff7a7b1213a64c854-1076671634 [page] => 941-943 [hb_type] => 2 [article_dt] => Letter [hb_batch] => title_cn_publication_cn_pub_year_2_3 [publication_en] => CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE [cite_wos] => 1 [fund_No] => 国家自然科学基金(批准号:20173031); 山东省自然科学基金(批准号:Y99B04) [check_3Y] => 1 [language] => Japanese [delivery_No] => 556CD [format_title] => a9fdd33b95d163b3748d01b9a68d53db2105689113 [cauthor_ad] => [Ding, SL]Shandong Univ, Inst Theoret Chem, Jinan 250100, Peoples R China. [author_fn] => Liu, HY; Ding, SL [reference] => Antonio Femandez-Ramos, 1998, J. Chem. Phys., V109, P1004@@@BONDYBEY VE, 1984, J CHEM PHYS, V80, P5432, DOI 10.1063/1.446650@@@@@@Hiroshi Sekiya, 1995, Chem. Lett., P893@@@Kaori Nishi, 2000, J. Chem. Phys., V112, P5002@@@Kathryn Kunze L, 1984, J. Am. Chem. Soc., V106, P6528@@@ROSSETTI R, 1980, J AM CHEM SOC, V102, P6913, DOI 10.1021/ja00543a002@@@Rossetti R, 1980, J. Am. Chem. Soc., V103, P4303@@@Tuckerman ME, 1997, SCIENCE, V275, P817, DOI@@@10.1126/science.275.5301.817@@@TURBINER AV, 1987, PHYS LETT A, V126, P181, DOI@@@10.1016/0375-9601(87)90456-7@@@屈正旺, 2000, 高等学校化学学报, V21, P435@@@张红雨, 1998, 中国科学.B, V28, P91 [publication_29] => CHEM J CHINESE U [end_page] => 943 [abstract_en] => The double-well potential model is very useful for describing proton transfer. And the curve picture of the sextic function V (R, gamma) = R-6+ 2gammaR(4)+ (gamma(2) + mu)R-2 has a double-well form, when gamma and mu satisfy a specific conditions. So it can be used as the potential function of proton transfer by modification. Most importantly, its corresponding Schroodinger equation has exactly analytic solutions. Thus it shows its superiority over the quartic: one V (R) = A (R-4- BR2) which has double-well form, but is not a solvable potential function. Based on the sextic function, the energy level splitting of the ground state of 9-hydroxyphenalone was studied by using linear variational method. The obtained results is better compared with the experimental ones. [author_in] => [Liu, HY]Shandong Univ, Inst Theoret Chem, Jinan 250100, Peoples R China.@@@[ Ding, SL] Jilin Univ, State Key Lab Computat Theoret Chem, Changchun 130023, Peoples R China. [publication_type] => J [begin_page] => 941 [author_en] => Liu, HY; Ding, SL [volume] => 23 [get_data] => 2018-08-29 [publisher] => HIGHER EDUCATION PRESS [keyword_en] => proton transfer; tunneling effect; energy level splitting; solvable; potential function [format_publication_cn] => 112be9cb2f30361719ed2bc572ba4a22192440272 [keyword_plu] => PROTON [publication_iso] => Chem. J. Chin. Univ.-Chin. [format_title_en] => cf874371dbaa1ef95c748cc08152a60b1336009268 [publisher_city] => BEIJING [hx_id] => 2377,2371 [reference_No] => 11 [email] => shlaudin@sdu.edu.cn [cite_awos] => 1 [wos_No] => WOS:000175831000046 [wos_sub] => Chemistry, Multidisciplinary [research_area] => Chemistry [check_180] => 0 [publisher_ad] => SHATANHOU ST 55, BEIJING 100009, PEOPLES R CHINA [title_en] => Studies on energy level splitting of 9-hydroxyphenalenone in the ground state by using a solvable sextic function [format_publication_en] => 4eabdd9afe3fe566a165b6e1c3e0dbbd-130083487 [jl_language] => japanese [jl_publication_cn] => 高等学校化学学报 [jl_article_dt] => letter [jl_publication_en] => chemicaljournalofchineseuniversitieschinese [jl_country] => 中国,中国 [jl_keyword_en] => potentialfunction,solvable,energylevelsplitting,tunnelingeffect,protontransfer [jl_keyword_cn] => 可解势函数,能级劈裂,隧道效应,质子转移 [jl_publisher] => highereducationpress [company_id] => [author_id] => 22242 [author_test] => Array ( [0] => Array ( [sure] => 0 [irmagnum] => 0 [u_index] => 0 [name] => 刘海英 [irtag] => 7 [t_index] => 0 [person_id] => 22242 ) ) [sys_author_id_arr] => [cscd_No] => CSCD:993375 [jl_publication_cn_publication_en] => chemicaljournalofchineseuniversitieschinese,高等学校化学学报 [jl_keyword_cn_keyword_en] => 质子转移,tunnelingeffect,energylevelsplitting,protontransfer,能级劈裂,可解势函数,potentialfunction,solvable,隧道效应 [sys_author_id] => [format_cscd_No] => 880aac3bca5485f9bf0ce586990aab4c-1129708616 [format_title_en_publication_en_pub_year] => ab46382339e0d81afe0c6abe900ad01b1267520122 [format_wos_No] => 3894c869b9bb868ba917e17f333e144e-105968811 [format_title_en_issn_pub_year] => 81eec803ee327512748225b054a94c92-2077707788 [id] => 5Q9KvmUBFjIhTVEbfhHC [tags] => 0 ) ) 1-->
1. Na+I_2——Na~++I_2~-反应中散射共振态的理论研究 CSCD SCIE

作者:蔡政亭,马万勇,孙孝敏,冯大诚

作者机构:[蔡政亭] 山东大学理论化学研究所, 济南, 山东 250100, 中国.;[孙孝敏] 山东大学理论化学研究所, 济南, 山东 250100, 中国.;[冯大诚] 山东大学理论化学研究所, 济南, 山东 250100, 中国.;[马万勇] 山东轻工业学院化工系, 济南, 山东 250100, 中国

来源:高等学校化学学报,CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE,2002,Vol.23,Issue.9,1776-1777

WOS被引数:4

资源类型:期刊论文

WOS:000178056800036

2. 用可解的六次势研究9-羟基苯嵌萘酮的基态能级劈裂 CSCD SCIE

作者:刘海英,丁世良

作者机构:[刘海英] 山东大学理论化学研究所, 济南, 山东 250100, 中国.;[丁世良] 山东大学理论化学研究所, 理论化学计算国家重点实验室, 济南, 山东 250100, 中国

来源:高等学校化学学报,CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE,2002,Vol.23,Issue.5,941-943

WOS被引数:1

资源类型:期刊论文

WOS:000175831000046

TOP