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  • Currently displaying 14861 - 14880 of 30637 publications
Author(s)
Publication title
Journal Name
Publication year
Molecular structure calculations: a unified quantum mechanical description of electrons and nuclei using explicitly correlated Gaussian functions and the global vector representation.
E Mátyus, M Reiher
The Journal of chemical physics
(2012)
137
Cocrystal dissociation and molecular demixing in the solid state.
MD Eddleston, GO Lloyd, W Jones
Chemical communications (Cambridge, England)
(2012)
48
A clathrate-I phase with Li-Ge framework
Y Liang, B Böhme, A Ormeci, H Borrmann, O Pecher, F Haarmann, W Schnelle, M Baitinger, Y Grin
Chemistry - A European Journal
(2012)
18
Direct detection of discharge products in lithium-oxygen batteries by solid-state NMR spectroscopy
M Leskes, NE Drewett, LJ Hardwick, PG Bruce, GR Goward, CP Grey
Angew Chem Int Ed Engl
(2012)
51
Crucial role of dynamic linker histone binding and divalent ions for DNA accessibility and gene regulation revealed by mesoscale modeling of oligonucleosomes
R Collepardo-Guevara, T Schlick
Nucleic acids research
(2012)
40
The monolayer structure of 1,2-bis(4-pyridyl)ethylene physisorbed on a graphite surface
AY Brewer, T Friscic, GM Day, LM Overvoorde, JE Parker, CN Richardson, SM Clarke
Molecular Physics
(2012)
111
Rapid distinction of intracellular and extracellular proteins using NMR diffusion measurements
CA Waudby, MD Mantle, LD Cabrita, LF Gladden, CM Dobson, J Christodoulou
J Am Chem Soc
(2012)
134
Establishing a Flow Process to Coumarin‐8‐Carbaldehydes as Important Synthetic Scaffolds
J Zak, D Ron, E Riva, HP Harding, BCS Cross, IR Baxendale
Chemistry – A European Journal
(2012)
18
Intrinsically Disordered p53 and Its Complexes Populate Compact Conformations in the Gas Phase
K Pagel, E Natan, Z Hall, AR Fersht, CV Robinson
Angewandte Chemie (International ed. in English)
(2012)
52
Titanium-catalyzed vinylic and allylic C-F bond activation-scope, limitations and mechanistic insight.
MF Kuehnel, P Holstein, M Kliche, J Krüger, S Matthies, D Nitsch, J Schutt, M Sparenberg, D Lentz
Chemistry – A European Journal
(2012)
18
Convergence of many-body wave-function expansions using a plane-wave basis: From homogeneous electron gas to solid state systems
JJ Shepherd, A Grüneis, GH Booth, G Kresse, A Alavi
Physical Review B Condensed Matter and Materials Physics
(2012)
86
Adsorption of 1- and 2-Butylimidazoles at the Copper/Air and Steel/Air Interfaces Studied by Sum Frequency Generation Vibrational Spectroscopy
MTL Casford, PB Davies
Langmuir : the ACS journal of surfaces and colloids
(2012)
28
Main group pyridyl -based ligands ; strategies to mixed metal complexes
HR Simmonds, DS Wright
Chem Commun (Camb)
(2012)
48
Crystallization and polymorphism of felodipine
AO Surov, KA Solanko, AD Bond, GL Perlovich, A Bauer-Brandl
Crystal Growth and Design
(2012)
12
A hybrid scanning mode for fast scanning ion conductance microscopy (SICM) imaging
A Zhukov, O Richards, V Ostanin, Y Korchev, D Klenerman
Ultramicroscopy
(2012)
121
ChemInform Abstract: ipso‐Nitration of Arylboronic Acids with Bismuth Nitrate and Perdisulfate.
S Manna, S Maity, S Rana, S Agasti, D Maiti
ChemInform
(2012)
43
Direct visualization of symmetry breaking during janus nanoparticle formation.
G Loget, TC Lee, RW Taylor, S Mahajan, O Nicoletti, ST Jones, RJ Coulston, V Lapeyre, P Garrigue, PA Midgley, OA Scherman, JJ Baumberg, A Kuhn
Small (Weinheim an der Bergstrasse, Germany)
(2012)
8
Flow directs surface-attached bacteria to twitch upstream
Y Shen, A Siryaporn, S Lecuyer, Z Gitai, HA Stone
Biophys J
(2012)
103
Modern battery electrolytes: ion-ion interactions in Li+/Na+ conductors from DFT calculations.
E Jónsson, P Johansson
Phys Chem Chem Phys
(2012)
14
Fast detection of single-charge tunneling to a graphene quantum dot in a multi-level regime
T Müller, J Güttinger, D Bischoff, S Hellmüller, K Ensslin, T Ihn
Applied Physics Letters
(2012)
101