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- Currently displaying 7321 - 7340 of 31566 publications
The Alchemical Energy Landscape for a Pentameric Cluster
The Journal of chemical physics
(2020)
152
014106
(doi: 10.1063/1.5130030)
The role of chemical design in the performance of organic semiconductors
Nat Rev Chem
(2020)
4
66
(doi: 10.1038/s41570-019-0152-9)
Fragment-Based Design of Mycobacterium Tuberculosis InhA Inhibitors
(2020)
(doi: 10.26434/chemrxiv.10280849)
Fragment-Based Design of Mycobacterium Tuberculosis InhA Inhibitors
(2020)
Spectroscopic signatures of quantum effects: general discussion
Faraday Discuss
(2020)
221
322
(doi: 10.1039/C9FD90074H)
Diarylethene moiety as an enthalpy-entropy switch: photoisomerizable stapled peptides for modulating p53/MDM2 interaction
Organic & Biomolecular Chemistry
(2020)
18
5359
(doi: 10.1039/d0ob00831a)
Hydrophosphination using [GeCl{N(SiMe3)2}3] as a pre-catalyst.
Chem Commun (Camb)
(2020)
56
13623
(doi: 10.1039/d0cc05792d)
Temperature dependence of the vibrational spectrum of porphycene: a qualitative failure of classical-nuclei molecular dynamics.
Faraday Discuss
(2020)
221
526
(doi: 10.1039/c9fd00056a)
Temperature-induced nanostructural evolution of hydrogen-rich voids in amorphous silicon: a first-principles study
Nanoscale
(2020)
12
1464
(doi: 10.1039/c9nr08209c)
Strongly coloured thiocyanate frameworks with perovskite-analogue structures (vol 10, pg 793, 2019)
Chemical Science
(2020)
11
12590
(doi: 10.1039/d0sc90255a)
A multifunnel energy landscape encodes the competing $\alpha$-helix and $\beta$-hairpin conformations for a designed peptide
Phys Chem Chem Phys
(2020)
22
1359
(doi: 10.1039/c9cp04778f)
Exciton dissociation and charge separation at donor–acceptor interfaces from quantum-classical dynamics simulations
Faraday Discussions
(2020)
221
547
(doi: 10.1039/c9fd00069k)
A tutored discourse on microcontrollers, single board computers and their applications to monitor and control chemical reactions
Reaction Chemistry & Engineering
(2020)
5
201
(doi: 10.1039/c9re00407f)
Selective signalling of alcohols by a molecular lattice and mechanism of single-crystal-to-single-crystal transformations
Inorganic Chemistry Frontiers
(2020)
7
3165
(doi: 10.1039/d0qi00645a)
Crystallographic phase changes and damage thresholds of CsPbI3microwire waveguides through continuous wave photoablation
Materials Advances
(2020)
1
161
(doi: 10.1039/d0ma00043d)
Postscript on viable ground-states for calculating topological π-electron ring-currents using the hückel-london-pople-mcweeny model
Croatica Chemica Acta
(2020)
93
321
(doi: 10.5562/cca3786)
Active nematics with anisotropic friction: the decisive role of the flow aligning parameter.
Soft matter
(2020)
16
2065
(doi: 10.1039/c9sm01963d)
Which quantum statistics-classical dynamics method is best for water?
Faraday discussions
(2020)
221
350
(doi: 10.1039/C9FD00077A)
The role of composition: Natural materials: Vs. synthetic composites: General discussion
Faraday Discuss
(2020)
223
295
(doi: 10.1039/D0FD90017F)