A POST-SCF STUDY ON THE EXCITED STATES OF MgH_2

The calculations on the ground state and twoexcited states3B2,BIB2 of MgH2 system are carried out by using(Second Order Configuration Interaction)method.For each state,theelectronic structure and related properties are investigated,The vibrationand localization analyses are also performed.The reasonable explanationsof bending geometries for the excited states are given.     

AB INITIO CONFIGURATION INTERACTION STUDY OF THE ELECTRONIC AND GEOMETRIC STRUCTURE OF MIXED NEUTRAL AND CATIONIC BLi_k（k＝1~7）CLUSTERS

ＡＢＩＮＩＴＩＯＣＯＮＦＩＧＵＲＡＴＩＯＮＩＮＴＥＲＡＣＴＩＯＮＳＴＵＤＹＯＦＴＨＥＥＬＥＣＴＲＯＮＩＣＡＮＤＧＥＯＭＥＴＲＩＣＳＴＲＵＣＴＵＲＥＯＦＭＩＸＥＤＮＥＵＴＲＡＬＡＮＤＣＡＴＩＯＮＩＣＢＬｉ_ｋ（ｋ＝１~７）ＣＬＵＳＴＥＲＳＨｕａＢｅｉＺＨ...     

THE CHIRAL SELECTIVITY IN ACROSS－MEMBRANE TRANSPORT OF 1，2－DIAMINOCYCLOHEXANE PLATINUM（II）COMPLEXES AND THE CONTRIBUTION OF LEAVING GROUPS

ＴＨＥＣＨＩＲＡＬＳＥＬＥＣＴＩＶＩＴＹＩＮＡＣＲＯＳＳ－ＭＥＭＢＲＡＮＥＴＲＡＮＳＰＯＲＴＯＦ１，２－ＤＩＡＭＩＮＯＣＹＣＬＯＨＥＸＡＮＥＰＬＡＴＩＮＵＭ（ＩＩ）ＣＯＭＰＬＥＸＥＳＡＮＤＴＨＥＣＯＮＴＲＩＢＵＴＩＯＮＯＦＬＥＡＶＩＮＧＧＲＯＵＰＳ￥...     

THE APPLICATION OF Cu（facam）2 TO THE ASYMMETRIC CYCLOPROPANATION OF 2，5－DIMETHYL－2，4－HEXADIENE

ＴＨＥ　ＡＰＰＬＩＣＡＴＩＯＮ　ＯＦ　Ｃｕ（ｆａｃａｍ）２　ＴＯ　ＴＨＥ　ＡＳＹＭＭＥＴＲＩＣ　ＣＹＣＬＯＰＲＯＰＡＮＡＴＩＯＮ　ＯＦ　２，５－ＤＩＭＥＴＨＹＬ－２，４－ＨＥＸＡＤＩＥＮＥＴＨＥＡＰＰＬＩＣＡＴＩＯＮＯＦＣｕ（ｆａｃａｍ）２ＴＯＴＨＥ...     

A NOVEL SYNTHETIC METHOD FOR THE CLUSTERS FeCo_2（CO）_9－（RCCR）（R＝MeO_2C，EtO_2C）．X－RAY CRYSTAL STRUCTURE ANALYSES OF THE CLUSTERS FeCo_2（CO）_9（MeO_2CCCCO_2Me）andCo_4（CO）_（10）－（EtO_2CCCCO_2Et）

ＡＮＯＶＥＬＳＹＮＴＨＥＴＩＣＭＥＴＨＯＤＦＯＲＴＨＥＣＬＵＳＴＥＲＳＦｅＣｏ_２（ＣＯ）_９－（ＲＣＣＲ）（Ｒ＝ＭｅＯ_２Ｃ，ＥｔＯ_２Ｃ）．Ｘ－ＲＡＹＣＲＹＳＴＡＬ　ＳＴＲＵＣＴＵＲＥ　ＡＮＡＬＹＳＥＳ　ＯＦ　ＴＨＥ　ＣＬＵＳＴＥＲＳ　ＦｅＣｏ_２（?..     

SYNTHESIS AND ANTI－HUMAN IMMUNODEFICIENCY VIRUS－1（HIV－1） ACTIVITY OF 9－（2－PHOSPHONYLMETHOXYETHYL）ADENINE （1）AND ITS REGIOISOMER 3－（2－PHOSPHONYLMETHOXYETHYL）ADENINE（2）

ＳＹＮＴＨＥＳＩＳＡＮＤＡＮＴＩ－ＨＵＭＡＮＩＭＭＵＮＯＤＥＦＩＣＩＥＮＣＹＶＩＲＵＳ－１（ＨＩＶ－１）ＡＣＴＩＶＩＴＹＯＦ９－（２－ＰＨＯＳＰＨＯＮＹＬＭＥＴＨＯＸＹＥＴＨＹＬ）ＡＤＥＮＩＮＥ（１）ＡＮＤＩＴＳＲＥＧＩＯＩＳＯＭＥＲ３－（２－ＰＨＯ...     

STUDY ON THE REARRANGEMENT REACTION OF 5－AMINO－1－AMINOCARBONYL－1，2，AND ITS ANALOGUES

ＳＴＵＤＹＯＮＴＨＥＲＥＡＲＲＡＮＧＥＭＥＮＴＲＥＡＣＴＩＯＮＯＦ５－ＡＭＩＮＯ－１－ＡＭＩＮＯＣＡＲＢＯＮＹＬ－１，２，ＡＮＤＩＴＳＡＮＡＬＯＧＵＥＳ￥ＲｏｎｇＪｉａｎＬＵ；ＨｕａＺｈｅｎｇＹＡＮＧ；ＢａｏＹｉｎｇＱＩＡＮ；ＨａｉＹａｎＤＥＮＧ（Ｎ...     

STUDIES ON THE SYNTHESIS AND REACTIONWITH ALKOXIDES OF 3－OXO－1，2－BENZOISOTHIAZOLINE－2－ACETAMIDE1，1－DIOXIDES

ＳＴＵＤＩＥＳＯＮＴＨＥＳＹＮＴＨＥＳＩＳＡＮＤＲＥＡＣＴＩＯＮＷＩＴＨＡＬＫＯＸＩＤＥＳＯＦ３－ＯＸＯ－１，２－ＢＥＮＺＯＩＳＯＴＨＩＡＺＯＬＩＮＥ－２－ＡＣＥＴＡＭＩＤＥ１，１－ＤＩＯＸＩＤＥＳＧｕｏＦｅｎｇＺＨＡＯ；ＨｕａＺｂｅｎｇＹＡＮＧ（Ｉ...     

THEORETICAL STUDY ON THE EXCITED STATES AND STABILITIES OF B_3, B_3~- AND B_3~+

The geometries and vibrational frequencies of the ground and low-lying excited states for B_3, B_3~- and B_3~+ are determined with the energy gradient method using the polarized double-zeta(6-31G*) basis set. The stabilities for the states of B_3,B_3~- and B_3~+ have been investigated based on the vibrational analysis. The correlation energy obtained for each state is considered with the configuration interaction (CISD+Q) technique. B_3 and B_3~+ have stable equilateral triangle geometry, while B_3~- has stable equilateral triangle, isosceles triangle and linear geometries. The Jahn-Teller distortion for a ~3E' state of B_3~- in D_(3h) symmetry is also discussed.     

SYNTHESIS OF CHIRAL TETRAHEDRAL TRANSITION METAL CARBONYL CLUSTERS SFeCoM（CO）_8（RCOCp）（M＝Mo，W；R＝H，CH_3，C_2H_5O）AND THE CRYSTAL STRUCTURE OF SFeCoW（CO）_8（C_2H_5O_2CCp）

ＳＹＮＴＨＥＳＩＳＯＦＣＨＩＲＡＬＴＥＴＲＡＨＥＤＲＡＬＴＲＡＮＳＩＴＩＯＮＭＥＴＡＬＣＡＲＢＯＮＹＬＣＬＵＳＴＥＲＳＳＦｅＣｏＭ（ＣＯ_８（ＲＣＯＣｐ）（Ｍ＝Ｍｏ，Ｗ；Ｒ＝Ｈ，ＣＨ_３，Ｃ_２Ｈ_５Ｏ）ＡＮＤ　ＴＨＥ　ＣＲＹＳＴＡＬ　ＳＴＲＵＣＴＵＲＥ...     

THE ISOLATION AND CHEMICAL STRUCTURE OF ISOANNONARETICINS，A PAIR OF 2－EPIMERS FROM ANNONA RETICULATA（ANNONACEAE）

ＴｈｉｓｉｎｖｅｓｈｇａｔｉｏｎｗａｓｓｕｐｐｏｒｔｅｄｂｙＴｈｅＮａｔｉｏｎａｌＮａｔｕｒａｌＳｃｉｅｎｃｅＦｏｕｎｄａｔｉｏｎｏｆＣｌｌｉｌｌａ．ｇｅｎｉｕｓｗｅｒｅｔ￣ＰａｒｅｎｔｉｎＵＶ，ｓｏｔｈｅ２，４－ｅｔｓａｎｄ２，４ｔｒａｎＳ－ｉｓｏｍｅｒｓｗｅｒｅｒｅｇａｒｄｅｄａｓａｓｉｎｇｌｅｃｏｎｓｔｉｔｕｅｎｔ（ａｍｉｘｔＵｒｅｏｆ２－ｅｐｉｍｅｒｓ）ｉｎａｎｅａｒｌｉｅｒｒｅｐｏｒｔ．ＷｅｓｕｃｃｅｓｓｆｕｌｌｙｓｅａｔｔｅｄｉｓｏａｕｎｏｎａｒｅｔｉｃｉｎｄｉａｃｅｔａｔｅｓｔＯｔＷｏｉＳＯｍｅｒｓ，２，４ｅｔｓ－ａｎｄ２，４￣－ｉｓｏａｎｎｏｎａｒｅｔｉｃｉｎｄｉａｃｅｔａｔｅｓｂｙｐｒｅｐａｒａｔｉｖｅＴＬＣｆｒｏｍＡ．ｒｅｔｉｃｕｂｏ．ＯｎｅＯｆｔｈｅＰａｉｒ，２，４－ｅｔｓ－ｉｓｏａｎｎｏｎａｒｅｔｉｃｉｎ，ｉｓａｎｅｗｎａｔｕｒａｌｐｒｏｄｕｃｔａｎｄａｎｏｔｈｅｒ，２，４－ｔｒａｎＳ－ｉｓｏａｎｎｏｎａｒｅｈｃｉｎｉｓａｋｎｏｗｎｂｕｌｌａｔａｃｉｎｏｎｅ．３ＣｏｍＰＯｕｎｄＩｗａｓｏｂｔａｉｎｅｄｃｒｙｓｔａｌｌｉｎｅ，ｍｐ．７２－７３＂Ｃ．ＴｈｅＦＡＢ－ＭＳｇａｖｅｔｈｅＰｅａ     

THE STUDY OF STRUCTURE AND DYNAMICS OF DINUCLEAR COMPLEXES ［Mo（VI）］_2－EDTA AND ［Mo（VI）］_2－EGTABY~1HNMR

ＴＨＥＳＴＵＤＹＯＦＳＴＲＵＣＴＵＲＥＡＮＤＤＹＮＡＭＩＣＳＯＦＤＩＮＵＣＬＥＡＲＣＯＭＰＬＥＸＥＳ［Ｍｏ（ＶＩ）］_２－ＥＤＴＡＡＮＤ［Ｍｏ（ＶＩ）］_２－ＥＧＴＡＢＹ~１ＨＮＭＲＲｕｉＦａｎｇＳＯＮＧ；ＦｅｉＬＩ；ＧｕａｎｇＭｉｎＬＩＵ；ＹｏｕＧａ?..     

STUDY OF THE FLUORESCENCE SYSTEM OF RIBONUCLEIC ACID－Tb（Ⅲ） AND THE DETERMINATION OF RIBONUCLEIC ACID

ＳＴＵＤＹＯＦＴＨＥＦＬＵＯＲＥＳＣＥＮＣＥＳＹＳＴＥＭＯＦＲＩＢＯＮＵＣＬＥＩＣＡＣＩＤ－Ｔｂ（Ⅲ）ＡＮＤＴＨＥＤＥＴＥＲＭＩＮＡＴＩＯＮＯＦＲＩＢＯＮＵＣＬＥＩＣＡＣＩＤ￥ＪｉｎｇＨｅＹＡＮＧ；ＣｈａｎｇＬｕｎＴＯＮＧ；ＮｉａｎＱｉｎＪＩＥ；Ｈｏ...     

THE REACTION OF（μ_3－CPh）Co_3（CO）_9 WITH TRANSITION METAL CARBONYL ANION M（CO）_3（RCOCp）AND CHARACTERIZATION OF CLUSTERS（μ_3－CPh）CO_2M（CO）_8（RCOCPp）（M＝Mo，W；R＝H，CH_3．C_2H_5O）

ＴＨＥＲＥＡＣＴＩＯＮＯＦ（μ_３－ＣＰｈ）Ｃｏ_３（ＣＯ）_９ＷＩＴＨ　ＴＲＡＮＳＩＴＩＯＮＭＥＴＡＬＣＡＲＢＯＮＹＬＡＮＩＯＮＭ（ＣＯ）_３（ＲＣＯＣｐ）ＡＮＤＣＨＡＲＡＣＴＥＲＩＺＡＴＩＯＮＯＦＣＬＵＳＴＥＲＳ（μ_３－ＣＰｈ）ＣＯ_２Ｍ（ＣＯ）_８（ＲＣＯＣＰｐ）（Ｍ＝Ｍｏ，Ｗ；Ｒ＝Ｈ，ＣＨ_３．Ｃ_２Ｈ_５Ｏ）Ａｕｔｈｏｒｔｏｗｈｏｍｃｏｒｍｓｐｏｎｄｅｎｃｅｓｈｏｕｌｄａｄｄｒｅｓｓｅｄ．ＥｘｐｅｒｉｍｅｎｔａｌｓｅｃｔｉｏｎＧｅｎｅｒａｌｐｒｏｃｅｄｕｒｅａｎｄｍａｔｅｒｉａｌＡｌｌｏｐｅｒａｔｉｏｎｗａｓｃａｒｒｉｅｄｏｕｔｕｎｄｅｒｈｉｇｈｌｙｐｕｒｅｎｉｔｒｏｇｅｎａｔｍｏｓｐｈｅｒｅｕｓｉｎｇｓｈａｄａｒｄＳｃｈｌｅｎｌｃａｎｄｖａｃｕｕｍｔｅｃｈｎｉｑｕｅｓ．Ｈｅ－ｃａｎｅ，ｂｅｎｚｅｎｅａｎｄｔｅｔｒａｈｙｄｒｏｆｕｒａｎｗｅｒｅｐｒｅｄｒｉｅｄｏｖｅｒｓｏｄｉｕｍｗｉｒｅａｎｄｄｉｓｔｉｌｌｅｄｆｒｏｍｓｏｄｉｕｍ－ｂｅｎｚｏｐｈｅｎｏｎｅｕｎｄｅｒｎｉｔｒｏｇｅｎ．ＮａＭ（ＣＯ）３（ＲＣＯＣＰ）ａｎｄＰｈＣＣｏ３（ＣＯ），ｗｅｒｅｐｒｅｐａｒｅｄａｃｃｏｒｄｉｎｇｔｏｌｉｔｅｒａｔＵｒｅ     

STUDIES ON THE NON－ISOTHERMAL KINETICS OF THERMAL DECOMPOSITIONS OF THE COMPLEXES OF Cd（II）WITH O－VANILLIN THIOSEMICARBAZONE AND IRON（III）WITH 2－［（O－HYDROXYBENZYLIDENE）AMINO］PHENOL AND PYRIDINE

ＳＴＵＤＩＥＳＯＮＴＨＥＮＯＮ－ＩＳＯＴＨＥＲＭＡＬＫＩＮＥＴＩＣＳＯＦＴＨＥＲＭＡＬＤＥＣＯＭＰＯＳＩＴＩＯＮＳＯＦＴＨＥＣＯＭＰＬＥＸＥＳＯＦＣｄ（ＩＩ）ＷＩＴＨＯ－ＶＡＮＩＬＬＩＮＴＨＩＯＳＥＭＩＣＡＲＢＡＺＯＮＥＡＮＤＩＲＯＮ（ＩＩＩ）ＷＩＴ...     

NMR STUDY ON THE CONFORMATION CHANGE IN THE AGGREGATION PROCESSES OF 1，3－DI（α－NAPHTHYL）PROPANE AND DI（α－NAPHTHYLMETHYL）ETHER

ＮＭＲＳＴＵＤＹＯＮＴＨＥＣＯＮＦＯＲＭＡＴＩＯＮＣＨＡＮＧＥＩＮＴＨＥＡＧＧＲＥＧＡＴＩＯＮＰＲＯＣＥＳＳＥＳＯＦ１，３－ＤＩ（α－ＮＡＰＨＴＨＹＬ）ＰＲＯＰＡＮＥＡＮＤＤＩ（α－ＮＡＰＨＴＨＹＬＭＥＴＨＹＬ）ＥＴＨＥＲ￥ＲｕｉＱｓｉｎｇＸＩＥ；Ｚ...     

SOLID STATE SYNTHESIS AND CRYSTAL STRUCTURE OF THE CLUSTER COMPOUND［MwS_4Cu_3（PPh_3）_3Cl］（Mw＝0，56W＋0．44M0）

ＳＯＬＩＤ　ＳＴＡＴＥ　ＳＹＮＴＨＥＳＩＳ　ＡＮＤ　ＣＲＹＳＴＡＬ　ＳＴＲＵＣＴＵＲＥ　ＯＦ　ＴＨＥ　ＣＬＵＳＴＥＲ　ＣＯＭＰＯＵＮＤ［ＭｗＳ_４Ｃｕ_３（ＰＰｈ_３）_３Ｃｌ］（Ｍｗ＝０，５６Ｗ＋０．４４Ｍ０）ＳＯＬＩＤＳＴＡＴＥＳＹＮＴＨＥＳＩＳＡＮ...     

THE BIRCH REDUCTION OF（1－OXO－CYCLOHEXENYLO）－2＇－［2＇，3＇，b］－6，7－MEHYLENEDIOXYBENZOZEPINE

ＴＨＥＢＩＲＣＨＲＥＤＵＣＴＩＯＮＯＦ（１－ＯＸＯ－ＣＹＣＬＯＨＥＸＥＮＹＬＯ）－２＇－［２＇，３＇，ｂ］－６，７－ＭＥＨＹＬＥＮＥＤＩＯＸＹＢＥＮＺＯＺＥＰＩＮＥＪｉａｎｇＨｏｎｇＷＡＮＧ；ＹｕｎＺｈｅｎＪＩＡＮＧ；ＺｈｉＺｈｏｎｇＺＨＡＯ（Ｉｎｓ...     

STUDIES ON THE SYNTHESIS OF SINULARIOL－D， SINULARIOL－A AND SINULARIC ACID－A．－SYNTHESIS OF （5R）－7，7－DIMETHOXY－5－［1－（2－TERT－BUTYLDIPHENYLSILOXYMETHYL）VINYL］－2－HEPTANONE

ＳＴＵＤＩＥＳＯＮＴＨＥＳＹＮＴＨＥＳＩＳＯＦＳＩＮＵＬＡＲＩＯＬ－Ｄ，ＳＩＮＵＬＡＲＩＯＬ－ＡＡＮＤＳＩＮＵＬＡＲＩＣＡＣＩＤ－Ａ．－ＳＹＮＴＨＥＳＩＳＯＦ（５Ｒ）－７，７－ＤＩＭＥＴＨＯＸＹ－５－［１－（２－ＴＥＲＴ－ＢＵＴＹＬＤＩＰＨＥＮＹＬＳ...