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- Currently displaying 6701 - 6720 of 29893 publications
Energy Landscapes for Proteins: From Single Funnels to Multifunctional Systems
Advanced Theory and Simulations
(2019)
2
1800175
(doi: 10.1002/adts.201800175)
Exciting Determinants in Quantum Monte Carlo: Loading the Dice with Fast, Low-Memory Weights.
Journal of Chemical Theory and Computation
(2019)
15
127
(doi: 10.1021/acs.jctc.8b00844)
Physical Determinants of Amyloid Assembly in Biofilm Formation.
Mbio
(2019)
10
10.1128/mbio.02279
(doi: 10.1128/mBio.02279-18)
Energy Landscape for Fold-Switching in Regulatory Protein RfaH.
Journal of Chemical Theory and Computation
(2019)
15
731
(doi: 10.1021/acs.jctc.8b00912)
Hydrogen-Bond-Assisted Symmetry Breaking in a Network of Chiral Metal–Organic Assemblies
Journal of the American Chemical Society
(2019)
141
1707
(doi: 10.1021/jacs.8b12323)
Physisorption of Water on Graphene: Subchemical Accuracy from Many-Body Electronic Structure Methods
J Phys Chem Lett
(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)
2019-September
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)
ESD Ideas: Photoelectrochemical carbon removal as negative emission technology
Earth System Dynamics
(2019)
10
1
(doi: 10.5194/esd-10-1-2019)
Halogen-bonded cocrystallization with phosphorus, arsenic and antimony acceptors
Nat Commun
(2019)
10
61
(doi: 10.1038/s41467-018-07957-6)
Industrial scale high-throughput screening delivers multiple fast acting macrofilaricides
Nature communications
(2019)
10
11
(doi: 10.1038/s41467-018-07826-2)
Correction: Unexpected arene ligand exchange results in the oxidation of an organoruthenium anticancer agent: the first X-ray structure of a protein-Ru(carbene) adduct.
Chem Commun (Camb)
(2019)
55
716
(doi: 10.1039/C8CC90551G)
Formation Mechanisms of ZnO Spherulites and Derivatives
Crystal Growth & Design
(2019)
19
249
(doi: 10.1021/acs.cgd.8b01332)
Synthesis and encapsulation of V(IV,V) compounds in silica nanoparticles targeting development of antioxidant and antiradical nanomaterials
J Inorg Biochem
(2019)
194
180
Phosphaisonitrile umpolung – synthesis and reactivity of chloro aminophosphino carbynes
Dalton Trans
(2019)
48
10628
(doi: 10.1039/c9dt01838g)
Fast Continuous Alcohol Amination Employing a Hydrogen Borrowing Protocol
Green Chemistry
(2019)
21
59
(doi: 10.1039/C8GC03328E)
In situ and operando spectroelectrochemical techniques for evaluating interfacial carrier behavior in emerging photoelectrodes for solar fuel production
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2019)
258
Some Observations on Triplet Ground-States in the Context of ‘Topological’ (HLPM) Ring-Currents in Conjugated Systems
Croatica Chemica Acta.
(2019)
92
445
(doi: 10.5562/cca3538)