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- Currently displaying 8601 - 8620 of 29252 publications
Structural Stability from Crystallographic Shear in TiO$_2$-Nb$_2$O$_5$ Phases: Cation Ordering and Lithiation Behavior of TiNb$_{24}$O$_{62}$
Inorg Chem
(2017)
56
4002
Control of functional materials and supramolecular network dynamics at both the molecular and colloidal length scales
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2017)
253
Towards the total synthesis and structural determination of patellazole B
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2017)
253
Combining quantum and QSAR methods for prediction of acid dissociation constants
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2017)
253
Studies toward a scalable second-generation total synthesis of the aplyronines as novel payloads for antibody-drug conjugates
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2017)
253
Thermal quantum time-correlation functions from classical-like dynamics
Molecular Physics
(2017)
115
1435
Solar H$_2$ evolution in water with modified diketopyrrolopyrrole dyes immobilised on molecular Co and Ni catalyst–TiO$_2$ hybrids
Chem Sci
(2017)
8
3070
(doi: 10.1039/c6sc05219c)
Invited Article: Chiral optics of helicoidal cellulose nanocrystal films
APL Photonics
(2017)
2
040801
(doi: 10.1063/1.4978387)
Semistochastic Heat-Bath Configuration Interaction Method: Selected Configuration Interaction with Semistochastic Perturbation Theory
J Chem Theory Comput
(2017)
13
1595
(doi: 10.1021/acs.jctc.6b01028)
Nanoparticle Assembly:A Perspective and some Unanswered Questions
Current Science
(2017)
112
1635
PEGylated liposomes associate with Wnt3A protein and expand putative stem cells in human bone marrow populations.
Nanomedicine
(2017)
12
845
(doi: 10.2217/nnm-2016-0386)
Beyond Iron: Iridium-Containing P450 Enzymes for Selective Cyclopropanations of Structurally Diverse Alkenes.
ACS central science
(2017)
3
302
(doi: 10.1021/acscentsci.6b00391)
Identification of Novel Class of Triazolo-Thiadiazoles as Potent Inhibitors of Human Heparanase and their Anticancer Activity.
BMC cancer
(2017)
17
235
(doi: 10.1186/s12885-017-3214-8)
Improving Computational Predictions of Single-Stranded RNA Tetramers with Revised α/γ Torsional Parameters for the Amber Force Field.
Journal of Physical Chemistry B
(2017)
121
2989
(doi: 10.1021/acs.jpcb.7b00819)
Double-layer ice from first principles
Physical Review B
(2017)
95
094121
(doi: 10.1103/physrevb.95.094121)
Sequence-selective encapsulation and protection of long peptides by a self-assembled Fe$^\text{II}$$_{8}$L$_{6}$ cubic cage
Nature Communications
(2017)
8
14882
(doi: 10.1038/ncomms14882)
Dipole-Moment Reversal in a Polar Organic Monolayer Probed by Sum and Difference Frequency Spectroscopy
The Journal of Physical Chemistry C
(2017)
121
6692
(doi: 10.1021/acs.jpcc.6b12700)
Ein achtkerniger metallosupramolekularer Würfel mit SpinâCrossoverâEigenschaften
Angewandte Chemie
(2017)
129
5012
(doi: 10.1002/ange.201700832)
An Octanuclear Metallosupramolecular Cage Designed To Exhibit Spin-Crossover Behavior
Angew Chem Int Ed Engl
(2017)
56
4930
(doi: 10.1002/anie.201700832)
In silico prediction of chemical subcellular localization via multi-classification methods
Medchemcomm
(2017)
8
1225
(doi: 10.1039/c7md00074j)