羅平亞（1940.06-），男，教授、博士生導(dǎo)師，中國工程院院士，四川省學(xué)術(shù)和技術(shù)帶頭人，享受國務(wù)院政府特殊津貼專家，國家級(jí)有突出貢獻(xiàn)的中青年專家，“孫越崎能源大獎(jiǎng)”獲得者。國務(wù)院學(xué)位委員會(huì)第三屆、第四屆學(xué)科評(píng)議組成員、四川省學(xué)位委員會(huì)委員長期從事石油天然氣鉆井和開發(fā)方面的研究與教學(xué)工作，是我國油田化學(xué)及與之相關(guān)的石油工程技術(shù)領(lǐng)域方面的著名專家。發(fā)表科研論文100余篇，主持、參與和完成40多項(xiàng)國家和省部級(jí)科研項(xiàng)目，獲省部級(jí)以上獎(jiǎng)30余項(xiàng)（其中國家級(jí)獎(jiǎng)7項(xiàng)，省部級(jí)一等獎(jiǎng)13項(xiàng)），出版專著6部，培養(yǎng)碩士、博士100多人。張雷（1967.02-），男，教授、博士生導(dǎo)師，葡萄牙科英布拉大學(xué)理論與計(jì)算化學(xué)專業(yè)博士（后）四川省學(xué)術(shù)和技術(shù)帶頭人，國家自然科學(xué)基金委地球科學(xué)部、化學(xué)科學(xué)部項(xiàng)目評(píng)議人入選2007年度四川省杰出青年學(xué)科帶頭人培養(yǎng)資助計(jì)劃主要從事理論與計(jì)算化學(xué)、應(yīng)用化學(xué)、化學(xué)工程等學(xué)科領(lǐng)域研究、教學(xué)工作發(fā)表論著50余篇，其中在Phy s. Chem Chem.Phys.，J Phys. Chem. A等國際知名學(xué)術(shù)期刊上發(fā)表SCI收錄論文20余篇，主持國家自然科學(xué)基金等國家級(jí)項(xiàng)目2項(xiàng)，主持四川省青年科技基金等省部級(jí)基金項(xiàng)目6項(xiàng)，主研同973計(jì)劃項(xiàng)目等國家級(jí)項(xiàng)目7項(xiàng)。
圖書目錄
Introduction Bibliography Part Ⅰ Theoretical Framework Chapter 1 Potential Energy Surfaces 1.1 Born-Oppenheimer approximation 1.1.1 The total Hamiltonian 1.1.2 Adiabatic representation 1.1.3 Diabatic representation 1.1.4 Diabatic-to-Adiabatic transformation 1.1.5 Two-State model 1.2 The solution of the electronic problem 1.3 Abinitio potentialenergy surfaces 1.3.1 Correlation energy partitioning 1.3.2 Semiempirical correction of ab initio energies 1.4 Semiempirical global potential energy surfaces 1.4.1 Diatomics-in-molecules theory 1.4.2 The double many-body expansion method 1.4.3 Energy-switching scheme for spectroscopically accurate functions Bibliography Chapter 2 Reaction Dynamics 2.1 Classical scattering 2.1.1 Molecule collision theory 2.1.2 Statistical averaging 2.2 The quasiclassical trajectory method 2.2.1 Classical Hamiltonian mechanics 2.2.2 Coordinate systems and transformations 2.2.3 Selection of initial states 2.2.4 Integration of the equations of motion 2.2.5 Analysis of finalstates 2.2.6 Treatment of the zero-point energy problem 2.3 Quantum reaction dynamics: a synopsis 2.3.1 Theinteraction picture 2.3.2 Time-dependent approaches 2.3.3 Time-independent approaches 2.3.4 Reduced dimensionality approaches Bibliography Part Ⅱ Case Studies Chapter 3 Dynamics of the OH（v）＋O3（Eu） Atmospheric Reaction Test Studies on the Potential Energy Surface and Rate C,onstant for the OH+O3 Atmospheric Reaction Dynamics of the OH（v=l.2.4）+03 Atmospheric Reaction OH（v）+03 : Does Chemical Reaction Dominate over Non-reactive Quenchings？ Dynamics Study of the OH-I-03 Atmospheric Reaction with Both Reactants Vibrationally Excited Vibrational Relaxation of Highly Vibrationally Excited 03 in Collisions with OH Dynamics Study of the Atmospheric Reaction Involving Vibrationally Excited 03with OH ……
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