Geometry and spectral parameters of structurally complicated titanocene in gas and solution

被引:2
作者
Loukova, G. V. [1 ]
Milov, A. A. [2 ]
Vasiliev, V. P. [1 ]
机构
[1] Russian Acad Sci, Inst Problems Chem Phys, 1 Prosp Akad Semenova, Chernogolovka 142432, Moscow Region, Russia
[2] Russian Acad Sci, Southern Sci Ctr, 41 Prosp Chekhova, Rostov Na Donu 344006, Russia
基金
俄罗斯基础研究基金会;
关键词
DENSITY-FUNCTIONAL THEORY; METAL-COMPLEXES;
D O I
10.1007/s11172-018-2377-z
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:2323 / 2325
页数:3
相关论文
共 16 条
[1]  
[Anonymous], COORD CHEM REV
[2]  
Frisch, 2016, GAUSSIAN 16 REVISION
[3]  
Gladysz J.A., 2000, CHEM REV, V100
[4]   Geometry prediction of hafnocenes by quantum chemical methods [J].
Karttunen, Virve A. ;
Linnolahti, Mikko ;
Pakkanen, Tapani A. ;
Maaranen, Janne ;
Pitkanen, Paeivi .
THEORETICAL CHEMISTRY ACCOUNTS, 2007, 118 (5-6) :899-913
[5]   Density Functional Theory: Not Quite the Right Answer for the Right Reason Yet [J].
Korth, Martin .
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2017, 56 (20) :5396-5398
[6]   Simulation of Highly Emissive States Based on Ligand-to-Metal Charge Transfer [J].
Loukova, G. V. ;
Milov, A. A. ;
Vasiliev, V. P. ;
Minkin, V. I. .
DOKLADY PHYSICAL CHEMISTRY, 2016, 470 :133-136
[7]  
Loukova G. V., 2017, KHIM VYS ENERG, V51, P349
[8]   Dipole moments and solvatochromism of metal complexes: principle photophysical and theoretical approach [J].
Loukova, Galina V. ;
Milov, Alexey A. ;
Vasiliev, Vladimir P. ;
Minkin, Vladimir I. .
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2016, 18 (27) :17822-17826
[9]   Unraveling electronic properties of an organometallic solute: Lippert-Mataga and quantum-chemical extensive study [J].
Loukova, Galina V. ;
Vasiliev, Vladimir P. ;
Milov, Alexey A. ;
Smirnov, Vyacheslav A. ;
Minkin, Vladimir I. .
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY, 2016, 327 :6-14
[10]  
Medvedev MG, 2017, SCIENCE, V355, P49, DOI [10.1126/science.aah5975, 10.1126/science.aam9550]