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- Currently displaying 7621 - 7640 of 30442 publications
Energy Landscape for Fold-Switching in Regulatory Protein RfaH
Journal of Chemical Theory and Computation
(2019)
15
731
(doi: 10.1021/acs.jctc.8b00912)
Exciting Determinants in Quantum Monte Carlo: Loading the Dice with Fast, Low-Memory Weights.
J Chem Theory Comput
(2019)
15
127
(doi: 10.1021/acs.jctc.8b00844)
Energy Landscapes for Proteins: From Single Funnels to Multifunctional Systems
Advanced Theory and Simulations
(2019)
2
1800175
(doi: 10.1002/adts.201800175)
Physisorption of Water on Graphene: Subchemical Accuracy from Many-Body Electronic Structure Methods.
The journal of physical chemistry letters
(2019)
10
358
(doi: 10.1021/acs.jpclett.8b03679)
Dual-catalytic transition metal systems for functionalization of unreactive sites of molecules
Nature Catalysis
(2019)
2
114
(doi: 10.1038/s41929-018-0207-1)
Studying Mechanical Properties and Phase Transitions of Aspirin Polymorphs with Terahertz Spectroscopy and ab Initio Simulations
2019 44th International Conference on Infrared, Millimeter, and Terahertz Waves (IRMMW-THz)
(2019)
00
1
Crystal structure, non-covalent interaction and molecular docking studies of 2-{[2-phenylsulfonyl)hydrazinylidene]methyl}benzoic acid and its dysprosium catalysed cyclized product: 2-(phenyl-sulfonyl)phthalazin-1(2H)-one
Journal of Molecular Structure
(2019)
1175
219
Adsorption Behavior of Organic Molecules: A Study of Benzotriazole on Cu(111) with Spectroscopic and Theoretical Methods
Langmuir
(2019)
35
882
(doi: 10.1021/acs.langmuir.8b03528)
Halogen-bonded cocrystallization with phosphorus, arsenic and antimony acceptors
Nat Commun
(2019)
10
61
(doi: 10.1038/s41467-018-07957-6)
ESD Ideas: Photoelectrochemical carbon removal as negative emission technology
Earth System Dynamics
(2019)
10
1
(doi: 10.5194/esd-10-1-2019)
Unexpected arene ligand exchange results in the oxidation of an organoruthenium anticancer agent: the first X-ray structure of a protein-Ru(carbene) adduct (vol 54, pg 6120, 2018)
Chemical Communications
(2019)
55
716
(doi: 10.1039/c8cc90551g)
Synthesis and encapsulation of V(IV,V) compounds in silica nanoparticles targeting development of antioxidant and antiradical nanomaterials
J Inorg Biochem
(2019)
194
180
Industrial scale high-throughput screening delivers multiple fast acting macrofilaricides
Nature communications
(2019)
10
11
(doi: 10.1038/s41467-018-07826-2)
Formation Mechanisms of ZnO Spherulites and Derivatives
Crystal Growth & Design
(2019)
19
249
(doi: 10.1021/acs.cgd.8b01332)
A general approach for the site-selective modification of native proteins, enabling the generation of stable and functional antibody–drug conjugates
Chemical science
(2019)
10
694
(doi: 10.1039/c8sc04645j)
Homoconjugation enhances the photophysical and electrochemical properties of a new 3D intramolecular charge transfer iptycene displaying deep blue emission
Journal of Materials Chemistry C
(2019)
7
12886
(doi: 10.1039/c9tc03255j)
A kinetic model for redox-active film based biophotoelectrodes
Faraday Discuss
(2019)
215
39
(doi: 10.1039/c8fd00168e)
The role of neutral Rh(PONOP)H, free NMe2H, boronium and ammonium salts in the dehydrocoupling of dimethylamine-borane using the cationic pincer [Rh(PONOP)(η2-H2)]+ catalyst.
Dalton Trans
(2019)
48
14724
(doi: 10.1039/c9dt03358k)
Phosphaisonitrile umpolung - synthesis and reactivity of chloro aminophosphino carbynes.
Dalton Trans
(2019)
48
10628
(doi: 10.1039/c9dt01838g)
On the kinetics of solvate formation through mechanochemistry
CrystEngComm
(2019)
21
2097
(doi: 10.1039/c8ce00871j)