| 查看: 394 | 回复: 1 | |||
[交流]
【整理】PCCP上的09年的TDDFT专辑 已有1人参与
|
|
按照DOI可以很容易的找到需要的文章 Guest Editors: Miguel A. L. Marques and Angel Rubio On the proton transfer mechanism in ammonia-bridged 7-hydroxyquinoline: a TDDFT molecular dynamics study Matteo Guglielmi, Ivano Tavernelli and Ursula Rothlisberger, Phys. Chem. Chem. Phys., 2009 DOI: 10.1039/b903136g Chemical and protein shifts in the spectrum of the photoactive yellow protein: a time-dependent density functional theory/molecular mechanics study Eneritz Muguruza González, Leonardo Guidoni and Carla Molteni, Phys. Chem. Chem. Phys., 2009 DOI: 10.1039/b902615k Excitation energies from ground-state densityfunctionals by means of generator coordinates E. Orestes, A. B. F. da Silva and K. Capelle, Phys. Chem. Chem. Phys., 2009 DOI: 10.1039/b902529d A time-dependent density-functional approach to nonadiabatic electron-nucleus dynamics: formulation and photochemical application Hirotoshi Hirai and Osamu Sugino, Phys. Chem. Chem. Phys., 2009 DOI: 10.1039/b901144g Wavepacket basis for time-dependent processes and its application to relaxation in resonant electronic transport Peter Bokes, Phys. Chem. Chem. Phys., 2009 DOI: 10.1039/b902501d Can phthalocyanines and their substituted -para- (methoxy)phenyl derivatives act as photosensitizers in photodynamic therapy? A TD-DFT study Angelo Domenico Quartarolo, Ida Lanzo, Emilia Sicilia and Nino Russo, Phys. Chem. Chem. Phys., 2009 DOI: 10.1039/b819064j Substituent effects on the light-induced C–C and C–Br bond activation in (bisphosphine)( 2-tolane)Pt0 complexes. A TD-DFT study Daniel Escudero, Mariana Assmann, Anne Pospiech, Wolfgang Weigand and Leticia González, Phys. Chem. Chem. Phys., 2009 DOI: 10.1039/b903603b Photodegradation mechanism of the common nonsteroid anti-inflammatory drug diclofenac and its carbazole photoproduct Klefah A. K. Musa and Leif A. Eriksson, Phys. Chem. Chem. Phys., 2009 DOI: 10.1039/b900144a Computation of accurate excitation energies for large organic molecules with double-hybrid density functionals Lars Goerigk, Jonas Moellmann and Stefan Grimme, Phys. Chem. Chem. Phys., 2009 DOI: 10.1039/b902315a Time-dependent current density functional theory via time-dependent deformation functional theory: a constrained search formulation in the time domain I. V. Tokatly, Phys. Chem. Chem. Phys., 2009 DOI: 10.1039/b903666k Photoabsorption spectra from adiabatically exact timedependent density-functional theory in real time Mark Thiele and Stephan Kümmel, Phys. Chem. Chem. Phys., 2009 DOI: 10.1039/b902567g Double excitation effect in non-adiabatic time-dependent density functional theory with an analytic construction of the exchange–correlation kernel in the common energy denominator approximation Oleg V. Gritsenko and Evert Jan Baerends, Phys. Chem. Chem. Phys., 2009 DOI: 10.1039/b903123e Physical signatures of discontinuities of the timedependent exchange–correlation potential Daniel Vieira, K. Capelle and C. A. Ullrich, Phys. Chem. Chem. Phys., 2009 DOI: 10.1039/b902613d Autoionizing resonances in time-dependent density functional theory August J. Krueger and Neepa T. Maitra, Phys. Chem. Chem. Phys., 2009 DOI: 10.1039/b902787d The polarizability in solution of tetra-phenyl-porphyrin derivatives in their excited electronic states: a PCM/TDDFT study Roberto Improta, Camilla Ferrante, Renato Bozio and Vincenzo Barone, Phys. Chem. Chem. Phys., 2009 DOI: 10.1039/b902521a A new generalized Kohn–Sham method for fundamental band-gaps in solids Helen R. Eisenberg and Roi Baer, Phys. Chem. Chem. Phys., 2009 DOI: 10.1039/b902589h |
回复此楼» 猜你喜欢
PbS量子点如何确定浓度
已经有11人回复
-
夏威夷大学生物胶体与界面实验室诚招全奖博士生和博士后
已经有1人回复
-
物理化学论文润色/翻译怎么收费?
已经有242人回复
-
求助立方晶体In(OH)3的CIF卡片
已经有2人回复
-
大湾区大学刘天辉课题组招收2026级博士生（与中山大学物理学院联合培养）
已经有22人回复
-
PbS量子点紫外吸收
已经有0人回复
-
比利时鲁汶大学与国家留学基金委共同资助博士研究生CSC-KU Leuven PhD Scholarship
已经有0人回复
-
[电子教材]天津大学物理化学（第七版）上、下册
已经有1人回复
-
阴离子交换膜电解二氧化碳还原
已经有0人回复
-
伦敦大学学院Benjamin Moss博士招收人工智能、原位光谱、催化相关26年博士生
已经有11人回复
qzhaosdu
金虫 (著名写手)
- 应助: 0 (幼儿园)
- 金币: 1401.6
- 散金: 2052
- 红花: 7
- 帖子: 1969
- 在线: 263.5小时
- 虫号: 493351
- 注册: 2008-01-10
- 性别: GG
- 专业: 理论和计算化学
- 管辖: 量子化学
tie要是能打包上来就好啦
2楼2010-09-30 12:32:55