Citation Impact
Citing Papers
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Computer Simulation of Liquids
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Selective CO Evolution from Photoreduction of CO2 on a Metal-Carbide-Based Composite Catalyst
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The gas phase infrared spectrum of ν1 and ν1−ν4 HCN---HF
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The theory of pulsed Fourier transform microwave spectroscopy carried out in a Fabry–Perot cavity: Static gas
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Electrical influence on monomer orientation in hydrogen bonded and other weakly bonded complexes
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The upper bound revisited
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Carbon capture and conversion using metal–organic frameworks and MOF-based materials
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Self-Consistent Polarization of the Boundary in the Redistributed Charge and Dipole Scheme for Combined Quantum-Mechanical and Molecular-Mechanical Calculations
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Deep Eutectic Solvents: A Review of Fundamentals and Applications
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Real-time probing of reactions in clusters
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Natural bond orbital analysis of near-Hartree–Fock water dimer
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The bπ.aσ complex C2H2⋯Cl2characterised by rotational spectroscopy as an intermediate in a reactive mixture of ethyne and chlorine
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Perovskites as Substitutes of Noble Metals for Heterogeneous Catalysis: Dream or Reality
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Recent Developments in the Chemistry of Cubic Polyhedral Oligosilsesquioxanes
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Perfluorocarbon–hydrocarbon self-assembly
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Specimen damage caused by the beam of the transmission electron microscope, a correlative reconsideration
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The rotational spectrum and molecular structure of the acetylene–HCl dimer
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Solvent dynamics in swollen polymers
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On the basis set superposition error in potential surface investigations. I. Hydrogen-bonded complexes with standard basis set functions
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Insulin-like growth factor II stimulates production of inositol trisphosphate in proximal tubular basolateral membranes from canine kidney.
1988
A highly selective and stable ZnO-ZrO2solid solution catalyst for CO2hydrogenation to methanol
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The chemistry and physics of zinc oxide surfaces
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Cause and effect reversed in non-equilibrium molecular dynamics: an easy route to transport coefficients
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On the Interpretation of the Observed Linear Free Energy Relationship in Phosphate Hydrolysis: A Thorough Computational Study of Phosphate Diester Hydrolysis in Solution
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Halogen bonding driven self-assembly of fluorocarbons and hydrocarbons
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Machine learning methods in chemoinformatics
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Molecular structure determination by electron microscopy of unstained crystalline specimens
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The N⋯I Intermolecular Interaction as a General Protocol for the Formation of Perfluorocarbon–Hydrocarbon Supramolecular Architectures 1
2000
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Computational approaches to the determination of active site structures and reaction mechanisms in heterogeneous catalysts
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Ab initio study of the structure, cooperativity, and vibrational properties of the H2O: (HF)2 hydrogen bonded complex
1992
Just Add Water: A New Fluorous Capping Reagent for Facile Purification of Peptides Synthesized on the Solid Phase
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Adsorption of CO on rutile (1×1)-TiO2(110): a molecular beam study
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Factors Controlling the Addition of Carbon‐Centered Radicals to Alkenes—An Experimental and Theoretical Perspective
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Works of Stephen C. Rogers being referenced
Spectroscopic investigations of hydrogen bonding interactions in the gas phase. II. The determination of the geometry and potential constants of the hydrogen-bonded heterodimer CH3CN • • • HF from its microwave rotational spectrum
1980
Spectroscopic investigations of hydrogen bonding interactions in the gas phase. IV. The heterodimer H20 • • • HF: the observation and analysis of its microwave rotational spectrum and the determination of its molecular geometry and electric dipole moment
1980
Spectroscopic investigations of hydrogen bonding interactions in the gas phase. I. The determination of the geometry, dissociation energy, potential constants and electric dipole moment of the hydrogen-bonded heterodimer HCN • • • HF from its microwave rotational spectrum
1980
In vivo EPR spectroscopy: biomedical and potential diagnostic applications
2003
Solubility of cerium in LaCoO3–influence on catalytic activity
2002
From CO2 to Methanol by Hybrid QM/MM Embedding This work was supported by EU Esprit IV project 25047. S.A.F. is grateful to ICI and Synetix for funding. K. Waugh, L. Whitmore, S. Cristol, and P. Sushko are thanked for their helpful insights. QM/MM=quantum mechanics/molecular mechanics.
2001
Detection of Human Red Blood Cell-bound Nitric Oxide
2005
Wall coating behavior of catalyst slurries in non-porous ceramic microstructures
2006
From CO2 to Methanol by Hybrid QM/MM Embedding
2001
Microwave spectrum of a gas-phase charge-transfer complex
1975
Existence and molecular properties of a gas-phase, hydrogen-bonded complex between hydrogen fluoride and water established from microwave spectroscopy
1975
Dipole moment enhancement on formation of a hydrogen-bonded complex. Demonstration and measurement of the effect for HCN…HF by microwave spectroscopy
1976
Computational evidence for anomalous diffusion of small molecules in amorphous polymers
1992
Gas sorption and transport in polyisobutylene: Equilibrium and nonequilibrium molecular dynamics simulations
1993
Restriction fragment length polymorphism of the apoprotein A-I-C-III gene cluster in control and stroke-prone white and black subjects: racial differences.
1992
Ab initio molecular orbital calculations on the transition state for the addition of a methyl radical to vinyl monomers
1994
Phorbol ester-stimulated phosphorylation of basolateral membranes from canine kidney
1986
Assignment of the complex vibrational spectra of the hydrogenated ZnO polar surfaces using QM/MM embedding
2002
Application of QSPR to Mixtures
2006
A method for the determination of the dissociation energies D0 and De for hydrogen-bonded dimers from the intensities of rotational transitions and its application to HCN…HF
1978
Radiation degradation of polyamino acids in the solid state
1966