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- alternant molecular orbital (AMO) method [化] 交替分子軌道法
- alternant molecular orbital method 交替分子軌道法
- The article deals with the oil and rock mineral property according to the molecular orbit theory and the energy band theory of the solid material. 該文依據分子軌道理論和固體物質(zhì)的能帶理論,對石油及巖石礦物的熒光性成因進(jìn)行了論述。
- The structural comparison of the studied complexes indicated that their stabilities were related to the extent of coupling between ligand molecular orbit and metal orbit. 絡(luò )合結構分析表明，植酸與金屬離子形成絡(luò )合物的穩定性和配體分子軌道與金屬軌道耦合程度有關(guān)；
- We measure the lowest unoccupied molecular orbit (LUMO) and the highest occupied molecular orbit (HOMO) of PBD and Alq3 by electrochemistry cyclic voltammetry and optical absorption. 利用電化學(xué)循環(huán)伏安法和光吸收分別測定PBD和Alq3最低空分子軌道(LUMO)和最高占據分子軌道(HOMO)。
- Molecular orbitals describe the location of electrons in a molecular environment under the influence of more than one nucleus. 分子軌道可用來(lái)描述分子中在多個(gè)核作用之下電子定域情況。
- The anomalous megnetic property of neutral Co6Te8 cluster is investigated by DVM-Xa calculation of molecular orbitals. 用DVM-X.;方法計算了中性Co_6Te_8團簇的分子軌道
- Three peaks, corresponding to the hexane molecular orbits, are observed at 7.8, 9.5 and 11.0 eV below the Fermi level. 在低溫下(160K);與正己烷分子相關(guān)的三個(gè)譜峰分別在費米能級以下7.;8、9
- Molecular Orbital Theory and Pericyclic Reactions: Modern concepts of bonding and aromaticity. 分子軌道理論和周環(huán)反應：關(guān)于化學(xué)鍵和芳香性的現代概念。
- Electron momentum spectroscopy of the highest occupied molecular orbitals of Chlorobromomethane[J]. 引用該論文 楊學(xué)峰;吳芳;單旭;嚴密;王克棟;薛新霞;陳向軍;徐克尊.
- This paper analyzes shell electron pair repulsion theory, valence-bond theory and molecular orbital theory on molecular structure of noble gas compounds. 對稀有氣體化合物的分子結構分別用“價(jià)層電子對互斥理論”、價(jià)鍵理論”和“分子軌道理論”進(jìn)行了分析處理。
- Abstract The decomposition reaction of molecular ion of phenol and phenylmethylether had been stuied by molecular orbitals theory. 摘要 本文利用分子軌道理論計算方法研究苯酚和苯甲醚分子離子分解反應，計算了分解反應中的前體離子、碎片離子和碎片的電離電位和內能。
- The spacecraft is in orbit around the moon. 該航天器在繞月球軌道運行。
- Using the theory of frontier molecular orbits, this article explains clearly stereoselectivity through the examples of electrocyclic reactions. 本文通過(guò)電環(huán)化反出實(shí)例,應用前線(xiàn)軌道理論清楚地解釋了該反應中的高度立體選擇性問(wèn)題。
- Molecular Orbital Theory and Crystal Field Theory demonstrated the possibility of the complextion reaction between L-Cys and hemoglobin. 運用分子軌道雜化理論和配合物晶體場(chǎng)理論論證了半胱氨酸和血紅蛋白之間發(fā)生配位反應的可能性。
- By applying the H ckel molecular orbital method in elucidating magnetic property and polarity of ozong molecule in substance. 用休克爾分子軌道法從本質(zhì)上說(shuō)明了臭氧分子的磁性和極性。
- The basic geometry structure, the vibration spectra and molecular orbital density of the C20 fullerene molecule have been studied. 利用密度泛函方法研究了富勒烯 分子的結構、光譜和分子軌道分布特性。
- The space shuttle will orbit a weather satellite. 太空梭將把一個(gè)氣象衛星送入運行軌道。
- The launch vehicle lifts the satellite into orbit. 太空火箭將人造衛星送入運行軌道。
- Meanwhile, with increasing the basis sets of Au, the energy gap of frontier molecular orbitals decreased, which can be observed clearly for the SDD and CEP-121G basis sets. 隨著(zhù)Au基組的增大;前線(xiàn)分子軌道能級差減小;其中SDD和CEP-121G基組之間的變化更明顯.
