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Stability of superoxide radicals in glyme solvents for non-aqueous Li―O2 battery electrolytes

Physical chemistry chemical physics : PCCP, 2013-07, Vol.15 (28), p.11830-11839

2013

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Linear, non-linear optical susceptibilities and the hyperpolarizability of the mixed crystals Ag0.5Pb1.75Ge(S1−xSex)4: experiment and theory

Physical chemistry chemical physics : PCCP, 2013, Vol.15 (43), p.18979-18986

2013

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Computing vibrational spectra from ab initio molecular dynamics

Physical chemistry chemical physics : PCCP, 2013-05, Vol.15 (18), p.668-6622

2013

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Enhanced photocatalytic performance of direct Z-scheme g-C3N4-TiO2 photocatalysts for the decomposition of formaldehyde in air

Physical chemistry chemical physics : PCCP, 2013-01, Vol.15 (39), p.16883-1689

2013

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A theoretical evaluation of possible transition metal electro-catalysts for N2 reduction

Physical chemistry chemical physics : PCCP, 2012-01, Vol.14 (3), p.1235-1245

2012

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Halogen bonding: an electrostatically-driven highly directional noncovalent interaction

Physical chemistry chemical physics : PCCP, 2010-01, Vol.12 (28), p.7748-7757

2010

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Electric-double-layer field-effect transistors with ionic liquids

Physical chemistry chemical physics : PCCP, 2013-06, Vol.15 (23), p.8983-9006

2013

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Expanding GSK's solvent selection guide ― embedding sustainability into solvent selection starting at medicinal chemistry

Green chemistry : an international journal and green chemistry resource : GC, 2011-01, Vol.13 (4), p.854-862

2011

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Direct electrodeposition of reduced graphene oxide on glassy carbon electrode and its electrochemical application

Electrochemistry communications, 2011-02, Vol.13 (2), p.133-137

2011

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Excited state intramolecular proton transfer (ESIPT): from principal photophysics to the development of new chromophores and applications in fluorescent molecular probes and luminescent materials

Physical chemistry chemical physics : PCCP, 2012-07, Vol.14 (25), p.883-8817

2012

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Understanding the effect of surface/bulk defects on the photocatalytic activity of TiO2: anatase versus rutile

Physical chemistry chemical physics : PCCP, 2013-07, Vol.15 (26), p.10978-10988

2013

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A Perovskite Oxide Optimized for Oxygen Evolution Catalysis from Molecular Orbital Principles

Science (American Association for the Advancement of Science), 2011-12, Vol.334 (6061), p.1383-1385

2011

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Strain-dependent electronic and magnetic properties of MoS2 monolayer, bilayer, nanoribbons and nanotubes

Physical chemistry chemical physics : PCCP, 2012-01, Vol.14 (37), p.1335-134

2012

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Outstanding mechanical properties of monolayer MoS2 and its application in elastic energy storage

Physical chemistry chemical physics : PCCP, 2013-11, Vol.15 (44), p.19427-19437

2013

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The Active Site of Methanol Synthesis over Cu/ZnO/Al2O3 Industrial Catalysts

Science (American Association for the Advancement of Science), 2012-05, Vol.336 (6083), p.893-897

2012

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Single molecule bridging between metal electrodes

Physical chemistry chemical physics : PCCP, 2013, Vol.15 (7), p.2253-2267

2013

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Thermal decomposition of carboxylate ionic liquids: trends and mechanisms

Physical chemistry chemical physics : PCCP, 2013-12, Vol.15 (47), p.20480-20495

2013

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A thorough benchmark of density functional methods for general main group thermochemistry, kinetics, and noncovalent interactions

Physical chemistry chemical physics : PCCP, 2011-01, Vol.13 (14), p.6670-6688

2011

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Water formation at low temperatures by surface O2 hydrogenation II: the reaction network

Physical chemistry chemical physics : PCCP, 2010-10, Vol.12 (38), p.1277-1288

2010

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Effects of all-atom force fields on amyloid oligomerization: replica exchange molecular dynamics simulations of the Aβ16―22 dimer and trimer

Physical chemistry chemical physics : PCCP, 2011, Vol.13 (20), p.9778-9788

2011

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On the structure of the thiolated Au15 cluster

Physical chemistry chemical physics : PCCP, 2013-12, Vol.15 (45), p.19557-19560

2013

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Screened-exchange density functionals with broad accuracy for chemistry and solid-state physics

Physical chemistry chemical physics : PCCP, 2012-12, Vol.14 (47), p.16187-16191

2012

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Simulating water with rigid non-polarizable models: a general perspective

Physical chemistry chemical physics : PCCP, 2011-11, Vol.13 (44), p.19663-19688

2011

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Assessment of a Coulomb-attenuated exchange-correlation energy functional

Physical chemistry chemical physics : PCCP, 2006, Vol.8 (5), p.558-562

2006

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Increasing Solar Absorption for Photocatalysis with Black Hydrogenated Titanium Dioxide Nanocrystals

Science (American Association for the Advancement of Science), 2011-02, Vol.331 (6018), p.746-750

2011

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Stability of superoxide radicals in glyme solvents for non-aqueous Li―O2 battery electrolytes

Linear, non-linear optical susceptibilities and the hyperpolarizability of the mixed crystals Ag0.5Pb1.75Ge(S1−xSex)4: experiment and theory

Computing vibrational spectra from ab initio molecular dynamics

Enhanced photocatalytic performance of direct Z-scheme g-C3N4-TiO2 photocatalysts for the decomposition of formaldehyde in air

A theoretical evaluation of possible transition metal electro-catalysts for N2 reduction

Halogen bonding: an electrostatically-driven highly directional noncovalent interaction

Electric-double-layer field-effect transistors with ionic liquids

Expanding GSK's solvent selection guide ― embedding sustainability into solvent selection starting at medicinal chemistry

Direct electrodeposition of reduced graphene oxide on glassy carbon electrode and its electrochemical application

Excited state intramolecular proton transfer (ESIPT): from principal photophysics to the development of new chromophores and applications in fluorescent molecular probes and luminescent materials

Understanding the effect of surface/bulk defects on the photocatalytic activity of TiO2: anatase versus rutile

A Perovskite Oxide Optimized for Oxygen Evolution Catalysis from Molecular Orbital Principles

Strain-dependent electronic and magnetic properties of MoS2 monolayer, bilayer, nanoribbons and nanotubes

Outstanding mechanical properties of monolayer MoS2 and its application in elastic energy storage

The Active Site of Methanol Synthesis over Cu/ZnO/Al2O3 Industrial Catalysts

Single molecule bridging between metal electrodes

Thermal decomposition of carboxylate ionic liquids: trends and mechanisms

A thorough benchmark of density functional methods for general main group thermochemistry, kinetics, and noncovalent interactions

Water formation at low temperatures by surface O2 hydrogenation II: the reaction network

Effects of all-atom force fields on amyloid oligomerization: replica exchange molecular dynamics simulations of the Aβ16―22 dimer and trimer

On the structure of the thiolated Au15 cluster

Screened-exchange density functionals with broad accuracy for chemistry and solid-state physics

Simulating water with rigid non-polarizable models: a general perspective

Assessment of a Coulomb-attenuated exchange-correlation energy functional

Increasing Solar Absorption for Photocatalysis with Black Hydrogenated Titanium Dioxide Nanocrystals

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