Results 311 to 320 of about 487,810 (325)
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Phonons and related crystal properties from density-functional perturbation theory
Reviews of Modern Physics, 2001Stefano Baroni +2 more
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Modeling Polymorphic Molecular Crystals with Electronic Structure Theory
Chemical Reviews, 2016Gregory J O Beran
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Phosphorene: from theory to applications
Nature Reviews Materials, 2016Alexandra Carvalho, Ziao Wang, Xi Zhu
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Combining theory and experiment in electrocatalysis: Insights into materials design
Science, 2017Zhi Wei Seh +2 more
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DNA methylation-based biomarkers and the epigenetic clock theory of ageing
Nature Reviews Genetics, 2018Steve Horvath, Kenneth Raj
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Quantification and origin of cooperativity: insights from density functional reactivity theory.
Physical Chemistry, Chemical Physics - PCCP, 2018Chunying Rong +3 more
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Theory and Simulation of the Ultrafast Double-Bond Isomerization of Biological Chromophores
Chemical Reviews, 2017Samer Gozem, Hoi Ling Luk, Igor Schapiro
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Combining Wave Function Methods with Density Functional Theory for Excited States
Chemical Reviews, 2018Soumen Ghosh +2 more
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