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NATO Advanced Study Institute on Metal-Ligand Interactions: Molecular-, Nano-, Micro-, and Macro-Systems in Complex Environments

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1.Charge Transfer in DNA-Metal-Ligand Complexes. Polynucleotides

机译：在DNA-金属配体配合物中的电荷转移。多核苷酸
- 作者：N. S. Fialko;V. D. Lakhno
- 会议名称：《NATO Advanced Study Institute on Metal-Ligand Interactions: Molecular-, Nano-, Micro-, and Macro-Systems in Complex Environments》 | 2003年
- nucleotide pair;
- tunneling;
- superexchange;
- hopping;
2.Microscopic DNA fluctuations are in accord with macroscopic DNA stretching elasticity without strong dependence on force-field choice

机译：微观DNA波动均符合宏观DNA拉伸弹性而不会对力场选择的强烈依赖
- 作者：John Marko;Michael Feig;B. Montgomery Pettitt
- 会议名称：《NATO Advanced Study Institute on Metal-Ligand Interactions: Molecular-, Nano-, Micro-, and Macro-Systems in Complex Environments》 | 2003年
- multiscale;
- simulation;
- molecular dynamics;
- field theory;
3.Molecular-level machines: the clockwork model

机译：分子级机：发条模型
- 作者：Lajos Bencze;Gyula Palyi;Robert Kurdi
- 会议名称：《NATO Advanced Study Institute on Metal-Ligand Interactions: Molecular-, Nano-, Micro-, and Macro-Systems in Complex Environments》 | 2003年
- concerted rotations;
- mechanochemiacal clockwork;
- simulation;
- bistable molecular machine;
- organocobalt complex;
- force field;
- stereoinversion;
4.Substituted-8-hydroxyquinolines metal complexes for application in organic light emitting devices

机译：取代-8-羟基喹啉金属配合物，用于在有机发光器件中的应用
- 作者：Mauro Ghedini;Iolinda Aiello;Annarita Grisolia;Alessandra Crispini;Massimo La Deda
- 会议名称：《NATO Advanced Study Institute on Metal-Ligand Interactions: Molecular-, Nano-, Micro-, and Macro-Systems in Complex Environments》 | 2003年
5.Molecular modelling of copper sites in ZSM-5: DFT and IR studies on the properties of Cu~(2+) and Cu~+ centres and their interaction with NO

机译：ZSM-5中铜部位的分子建模：DFT和IR研究关于Cu〜（2+）和Cu〜+中心的性质及其与NO的相互作用
- 作者：E. Broclawid;J. Datka;B. Gil;P. Kozyra
- 会议名称：《NATO Advanced Study Institute on Metal-Ligand Interactions: Molecular-, Nano-, Micro-, and Macro-Systems in Complex Environments》 | 2003年
6.Cyclopalladated complexes: A new class of highly efficient single component photorefractive materials

机译：环保组合物：一类新的高效单组分光折花材料
- 作者：Mauro Ghedini;Iolinda Aiello;Davide Dattilo;Alessandra Crispini;Attilio Golemme;Roberto Termine
- 会议名称：《NATO Advanced Study Institute on Metal-Ligand Interactions: Molecular-, Nano-, Micro-, and Macro-Systems in Complex Environments》 | 2003年
7.Charge Transfer in DNA-Metal-Ligand Complexes. Oligonucleotides

机译：在DNA-金属配体配合物中的电荷转移。寡核苷酸
- 作者：V. D. Lakhno
- 会议名称：《NATO Advanced Study Institute on Metal-Ligand Interactions: Molecular-, Nano-, Micro-, and Macro-Systems in Complex Environments》 | 2003年
- nucleotide pair;
- tunneling;
- superexchange;
- hopping;
8.Chemical reactivity of free and supported metal clusters

机译：自由和负载金属簇的化学反应性
- 作者：K. Judai;A. S. Worz;S. Abbet;U. Heiz
- 会议名称：《NATO Advanced Study Institute on Metal-Ligand Interactions: Molecular-, Nano-, Micro-, and Macro-Systems in Complex Environments》 | 2003年
9.Recent research results in the laboratory of inorganic chemistry of the university of ioannina-greece

机译：最近的研究成果在Ioannina-希腊大学无机化学实验室
- 作者：Nick Hadjiliadis
- 会议名称：《NATO Advanced Study Institute on Metal-Ligand Interactions: Molecular-, Nano-, Micro-, and Macro-Systems in Complex Environments》 | 2003年
10.FUNCTIONAL MIMICS OF Cu, ZN- SUPEROXIDE DISMUTASE ENZYMES

机译：Cu，Zn-超氧化物歧化酶酶的功能模拟物
- 作者：R.P. BONOMO;G. IMPELLIZZERI;D. LA MENDOLA;G. MACCARRONE;G. PAPPALARDO;A. SANTORO;G. TABBi;G. VECCHIO;E. RIZZARELLI;NATO;NATO Science Series II: Mathematics Physics and Chemisty v.116
- 会议名称：《NATO Advanced Study Institute on Metal-Ligand Interactions: Molecular-, Nano-, Micro-, and Macro-Systems in Complex Environments》 | 2003年
11.Electronic properties, spectroscopic properties and monomolecular isomerization processes of prototype oled compound aluminum tris (Quinolin-8-olate)facial and meridianal isomers

机译：原型OLED化合物铝TRIS（喹啉-8- olate）面部和共生异构体的电子性质，光谱性质和单分子异构化方法
- 作者：Mario Amati;Francesco Lelj
- 会议名称：《NATO Advanced Study Institute on Metal-Ligand Interactions: Molecular-, Nano-, Micro-, and Macro-Systems in Complex Environments》 | 2003年
12.Functional mimics of Cu, Zn-Superoxide Dismutase Enzymes

机译：Cu，Zn-超氧化物歧化酶酶的功能模拟
- 作者：R. P. Bonomo;G. Impellizzeri;D. La Mendola;G. Maccarrone;G. Pappalardo;A. Santoro;G. Tabbi;G. Vecchio;E. Rizzarelli
- 会议名称：《NATO Advanced Study Institute on Metal-Ligand Interactions: Molecular-, Nano-, Micro-, and Macro-Systems in Complex Environments》 | 2003年
13.On the use of density functional theory in the study of metal-ligand interactions. some studied cases

机译：关于金属 - 配体相互作用研究中的密度功能理论的使用。一些研究的案例
- 作者：M. Belcastro;S. Chiodo;O. Kondakova;M. Leopoldini;T. Marino;M. C. Michelini;M. V. Putz;E. Sicilia;M. Toscano;N. Russo
- 会议名称：《NATO Advanced Study Institute on Metal-Ligand Interactions: Molecular-, Nano-, Micro-, and Macro-Systems in Complex Environments》 | 2003年
14.Metal binding to prion protein

机译：金属与朊病毒蛋白质结合
- 作者：R. P. Bonomo;D. Grasso;G. Grasso;V. Guantieri;G. Impellizzeri;C. La Rosa;D. Milardi;G. Pappalardo;G. Tabbi;E. Rizzarelli
- 会议名称：《NATO Advanced Study Institute on Metal-Ligand Interactions: Molecular-, Nano-, Micro-, and Macro-Systems in Complex Environments》 | 2003年
15.Electron correlation: quantum chemistry's holy grail

机译：电子相关：量子化学的圣杯
- 作者：J. M. Mercero;E. Valderrama;J. M. Ugalde
- 会议名称：《NATO Advanced Study Institute on Metal-Ligand Interactions: Molecular-, Nano-, Micro-, and Macro-Systems in Complex Environments》 | 2003年
16.Metal clusters and metallicity: the paradigm of magnesium

机译：金属簇和金属性：镁的范式
- 作者：Julius Jellinek;Paulo H. Acioli
- 会议名称：《NATO Advanced Study Institute on Metal-Ligand Interactions: Molecular-, Nano-, Micro-, and Macro-Systems in Complex Environments》 | 2003年
17.The Hydrogen Bonding in DNA vs. Unnatural Base Pairs

机译：DNA与非自然碱对中的氢键
- 作者：Eugene S. Kryachko
- 会议名称：《NATO Advanced Study Institute on Metal-Ligand Interactions: Molecular-, Nano-, Micro-, and Macro-Systems in Complex Environments》 | 2003年
18.DFT-IET method for quantum-classical systems: treatment of solvated quasiparticles

机译：量子古典系统的DFT-IET方法：溶剂化Quasiply的处理
- 作者：G. N. Chuev;M. V. Fedorov;N. Russo
- 会议名称：《NATO Advanced Study Institute on Metal-Ligand Interactions: Molecular-, Nano-, Micro-, and Macro-Systems in Complex Environments》 | 2003年
19.Cylindrical-wave method in theory of pristine and metal-doped nanotubes and nanowires

机译：原始和金属掺杂纳米管理论上的圆柱波方法
- 作者：P. N. DYachkov
- 会议名称：《NATO Advanced Study Institute on Metal-Ligand Interactions: Molecular-, Nano-, Micro-, and Macro-Systems in Complex Environments》 | 2003年
20.Possible Electronic Modifications of VO-based catalysts

机译：可能的vo基催化剂的电子修饰
- 作者：M. Witko;R. Tokarz-Sobieraj;R. Grybos
- 会议名称：《NATO Advanced Study Institute on Metal-Ligand Interactions: Molecular-, Nano-, Micro-, and Macro-Systems in Complex Environments》 | 2003年
- cluster model of vanadium oxides;
- surface vacancies;
- doping effect;
- supporting effect;
- DFT cluster calculations;
21.DFT-investigations of intermediates in catalytic reactions

机译：催化反应中间体的DFT调查
- 作者：H. Bogel
- 会议名称：《NATO Advanced Study Institute on Metal-Ligand Interactions: Molecular-, Nano-, Micro-, and Macro-Systems in Complex Environments》 | 2003年
22.Metal-dna interactions

机译：金属DNA相互作用
- 作者：T. Theophanides;J. Anastassopoulou;G. Demunno
- 会议名称：《NATO Advanced Study Institute on Metal-Ligand Interactions: Molecular-, Nano-, Micro-, and Macro-Systems in Complex Environments》 | 2003年
23.DFT based reactivity descriptors and their application to the study of organotin compounds

机译：基于DFT基的反应性描述符及其在有机锡化合物研究中的应用
- 作者：P. Geerlings;R. Vivas-Reyes;F. De Proft;M. Biesemans;R. Willem
- 会议名称：《NATO Advanced Study Institute on Metal-Ligand Interactions: Molecular-, Nano-, Micro-, and Macro-Systems in Complex Environments》 | 2003年
24.From real world catalysis to surface science and back: can nanoscience help to bridge the GAP?

机译：从现实世界催化到表面科学和背部：纳米科技可以帮助弥合差距吗？
- 作者：H.-J. Freund;G. Rupprechter;M. Baumer;Th. Risse;N. Ernst;J. Libuda
- 会议名称：《NATO Advanced Study Institute on Metal-Ligand Interactions: Molecular-, Nano-, Micro-, and Macro-Systems in Complex Environments》 | 2003年
25.What can tell topological approaches on the bonding in transition metal compounds

机译：什么可以在过渡金属化合物中讲述键合的拓扑方法
- 作者：B. Silvi;J. Pilme;F. Fuster;M. E. Alikhani
- 会议名称：《NATO Advanced Study Institute on Metal-Ligand Interactions: Molecular-, Nano-, Micro-, and Macro-Systems in Complex Environments》 | 2003年