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A Rule to Design High Spin Molecules with Hetero spin Centers
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作者 ZHANG Jing-ping YANG Guang-hui +1 位作者 WANG Rong-shun WANG Li xiang 《Chemical Research in Chinese Universities》 SCIE CAS CSCD 1999年第4期337-342,共6页
The series of biradicals with m phenylene coupling unit and hetero spin centers were calculated compared with those possessing homo spin centers using AM1 CI method. A simple rule was proposed to design high s... The series of biradicals with m phenylene coupling unit and hetero spin centers were calculated compared with those possessing homo spin centers using AM1 CI method. A simple rule was proposed to design high spin molecules with ferromagnetic coupling unit and hetero spin centers. Two neutral (or charged) hetero spin centers resulted in high spin ground state, one neutral and another charged hetero spin centers correspond to low spin ground state. The latter was ascribed to the huge splitting of two partially occupied molecular orbitals. 展开更多
关键词 AM1 CI Hetero spin center BIRADICAL high spin molecule
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The Design of Novel High Spin Molecules with Two atoms Spin Centers
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作者 ZHANG Jing-ping YANG Guang-hui +1 位作者 WANG Rong-shun WANG Li-xiang 《Chemical Research in Chinese Universities》 SCIE CAS CSCD 1999年第4期385-387,共3页
关键词 Semiempirical AM1 CI calculations high spin molecules Two atoms spin center
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AN SCF-CI STUDY OF HIGHLY EXCITED VIBRATIONAL STATES OF BENT TRIATOMIC MOLECULES AND ITS APPLICATION TO O_(3)
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作者 Dai Qian XIE Guo Sen YAN +1 位作者 Jun Kai XIE An Min TIAN 《Chinese Chemical Letters》 SCIE CAS CSCD 1993年第2期175-178,共4页
A self-consistent-field—configuration interaction(SCF-CI)procedure of studying highly excited vibrational states of bent triatomic molecules is suggested and its application to O_3 is investigated.
关键词 SCF CI Cl In AN SCF-CI STUDY OF highLY EXCITED VIBRATIONAL STATES OF BENT TRIATOMIC moleculeS AND ITS APPLICATION TO O3 ITS
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RESEARCH ON CATIONIC POLYMER WATER BASE DRILLING FLUIDS
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作者 刘雨晴 《Journal of Wuhan University of Technology(Materials Science)》 SCIE EI CAS 1997年第Z1期94-102,共9页
Cationic polymer drilling fluid (CPDF) is a new water base drilling fluid in which high molecular weight (HMW) cationic polymer (CPAM) is an encapsulating and flocculating agent and organic quaternary ammonium compoun... Cationic polymer drilling fluid (CPDF) is a new water base drilling fluid in which high molecular weight (HMW) cationic polymer (CPAM) is an encapsulating and flocculating agent and organic quaternary ammonium compound (NW-1) acts as shale inhibitor. This paper describes the experimental results of cuttings recovery, particle size distribution layer spacing and Zeta potential, and discusses the inhibition of CPDF system and its major additives. The advantages of CPDF will be proved by its application in well LX-2. 展开更多
关键词 cationic polymer drilling fluid high molecule encapsulating agent flocculating agent shale inhibitor APPLICATION
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