Editorial Board
- 期刊名称Technovation
- 卷第34卷
- 期第3期
- 印刷ISSN0166-4972
- 文件大小45.48KB
- 发表时间2014-03
- DOI10.1016/s0166-4972(14)00012-1
Structures and Electronic Absorption Spectra of a Recently Synthesised Class of Photodynamic Therapy AgentsAngelo Domenico Quartarolo; Nino Russo; Emilia Sicilia · 2006
Absorption Spectra of the Potential Photodynamic Therapy Photosensitizers Texaphyrins Complexes: A Theoretical Analysis <sup>†</sup>Quartarolo, Angelo Domenico; Russo, Nino; Sicilia, Emilia; Lelj, Francesco · Journal of Chemical Theory and Computation · 2007
A Time-Dependent Density Functional Study of a Non-Aromatic [1.1.1.1.1]-Pentaphyrin and Its Lutetium ComplexRamos Sousa, Flavio Fortes; Quartarolo, Angelo Domenico; Sicilia, Emilia; Russo, Nino · The Journal of Physical Chemistry B · 2012
Can phthalocyanines and their substituted α-para-(methoxy)phenyl derivatives act as photosensitizers in photodynamic therapy? A TD-DFT studyQuartarolo, Angelo Domenico; Lanzo, Ida; Sicilia, Emilia; Russo, Nino · Physical Chemistry Chemical Physics · 2009
Gaussian Expansions of OrbitalsMcKemmish, Laura K.; Gill, Peter M. W. · Journal of Chemical Theory and Computation · 2012
Free Energy Guided SamplingZhou, Ting; Caflisch, Amedeo · Journal of Chemical Theory and Computation · 2012
On Reaction Coordinate OptimalityKrivov, Sergei V. · Journal of Chemical Theory and Computation · 2013
Metadynamics with Adaptive GaussiansBranduardi, Davide; Bussi, Giovanni; Parrinello, Michele · Journal of Chemical Theory and Computation · 2012
Symmetry Conservation in Fukui FunctionsFlores-Moreno, Roberto · Journal of Chemical Theory and Computation · 2010
Transient Polymorphism in NaClGiberti, Federico; Tribello, Gareth A.; Parrinello, Michele · Journal of Chemical Theory and Computation · 2013
Developments in Theoretical ChemistryMcCoy, Anne B.; Scuseria, Gustavo E. · Journal of Chemical Theory and Computation · 2014
Connecting Pauling and Mulliken ElectronegativitiesHerrick, David R. · Journal of Chemical Theory and Computation · 2005