Results 341 to 350 of about 827,605 (367)

A long-range-corrected time-dependent density functional theory.

Journal of Chemical Physics, 2004
Y. Tawada, T. Tsuneda, S. Yanagisawa, Takeshi Yanai, K. Hirao   +4 more
semanticscholar   +1 more source

Molecular excitation energies to high-lying bound states from time-dependent density-functional response theory: Characterization and correction of the time-dependent local density approximation ionization threshold

, 1998
M. E. Casida, C. Jamorski, Kim C. Casida, D. Salahub   +3 more
semanticscholar   +1 more source

The calculations of excited-state properties with Time-Dependent Density Functional Theory.

Chemical Society Reviews, 2013
C. Adamo, D. Jacquemin
semanticscholar   +1 more source

Time-dependent density functional theory for molecules in liquid solutions

, 2001
M. Cossi, V. Barone
semanticscholar   +1 more source

Computational predictions of energy materials using density functional theory

Nature Reviews Materials, 2016
Anubhav Jain, Yongwoo Shin, Kristin A Persson   +2 more
exaly  

Failure of time-dependent density functional theory for long-range charge-transfer excited states: the zincbacteriochlorin-bacteriochlorin and bacteriochlorophyll-spheroidene complexes.

Journal of the American Chemical Society, 2004
A. Dreuw, M. Head‐Gordon
semanticscholar   +1 more source

Geometries and properties of excited states in the gas phase and in solution: theory and application of a time-dependent density functional theory polarizable continuum model.

Journal of Chemical Physics, 2006
G. Scalmani, M. Frisch, B. Mennucci, J. Tomasi, R. Cammi, V. Barone   +5 more
semanticscholar   +1 more source

Clinical characteristics, pathophysiology, and management of noncentral nervous system cancer‐related cognitive impairment in adults

Ca-A Cancer Journal for Clinicians, 2015
Jeffrey S Wefel, Shelli R Kesler
exaly  

Application of Nanotechnology in Cancer Therapy and Imaging

Ca-A Cancer Journal for Clinicians, 2008
Dong M Shin
exaly  

Poly(ADP-Ribose) polymerase (PARP) inhibitors: Exploiting a synthetic lethal strategy in the clinic

Ca-A Cancer Journal for Clinicians, 2011
Timothy A Yap, Johann Sebastian de Bono
exaly