NDLI: Conformational isomerism in methyl cyanoacetate: A combined matrix-isolation infrared spectroscopy and molecular orbital study

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Electrostatic potential inside ionic solutions confined by dielectrics: a variational approach

Formation of several types of coordination complexes upon CO adsorption on the zeolite Li-ZSM-5

Molecular structure of cis-1-chloro-2-fluoroethylene from ab initio calculations and microwave spectroscopy

Aggregation of alkane and fluoroalkane clusters: molecular dynamics simulation results

Hydrogen bonding and the dipole moment of hydrofluorocarbons by density functional theory

Protonation energies and the Laplacian of the electron density: A critical examination

Molecular design for squaraines with large positive or negative third-order optical nonlinearity

Determination of the structures of benzotriazole(H₂O)_1,2 clusters by IR–UV spectroscopy and ab initio theory

Structured water around ions—FTIR difference spectroscopy and quantum-mechanical calculations

Conformational isomerism in methyl cyanoacetate: A combined matrix-isolation infrared spectroscopy and molecular orbital study

High-resolution FTIR study of the ν₂ fundamental of cis-CHFCHF

Millimeter-wave spectroscopy, high resolution infrared spectrum, ab initio calculations, and molecular geometry of FPO

Evidence of orbital mixing for KrXe and ArXe excited states in the vacuum ultraviolet

Laser spectroscopy of YBr: rotational analysis of the C¹Σ–X¹Σ system

Theoretical study of the photodissociation dynamics of ClOOCl

Ab initio and kinetic calculations for the reactions of H with SiH_(4–n)F_n (n= 1–3)

Description of electrolyte effects on the kinetics of reactions between ions in solution, using the mean spherical approximation

High temperature reaction of Sn(³P₀) atoms with O₂ based on Sn- and O-concentration measurements

Shock tube combustion of liquid hydrocarbon sprays of toluene

Fast dimerisation of the triparaquat radical dication

Evaporation after ionization in molecular clusters: application to 1-naphthol–(NH₃)_n

The effect of anionic, cationic and neutral surfactants on the photophysics and isomerization of 3,3′-diethylthiacarbocyanine

Prediction of thermodynamic derivative properties of fluids by Monte Carlo simulation

Multicomponent diffusion in systems containing molecules of different size Part 3. Mutual diffusion in the ternary system hexa(ethylene glycol)–di(ethylene glycol)–water

Binodal and spinodal curves of an L₃ (sponge) phase

Long-range spherical potential energy function from the second virial coefficient using decomposition into subspaces

The proton affinities of CO and CO₂ and the first hydration energy of gaseous H₃O⁺ from mass spectrometric investigations of ions in rich flames of C₂H₂

Diblock polyampholytes at the silicon/water interface: Adsorption at various modified silicon substrates

Direct dynamics simulations of the oxidation of a single wall carbon nanotube

Coadsorption of the complementary base pair adenine–thymine at the mercury/electrolyte interface

Separation of linear, mono-methyl and di-methyl alkanes in the 5–7 carbon atom range by exploiting configurational entropy effects during sorption on silicalite-1

Thermal, electrochemical and structural properties of stabilized LiNi_yCo_1–y–zM_zO₂ lithium-ion cathode material prepared by a chemical route

The influence of square planar platinum complexes on DNA base pairing. An ab initio DFT study

Effect of DNA on the rate of electron transfer reactions between non-intercalated reactants: kinetic study of the reactions [Ru(NH₃)₅pz]²⁺+[Co(C₂O₄)₃]^3– and [Ru(NH₃)₅py]²⁺+[Co(NH₃)₄pzCO₂]²⁺ in aqueous solutions in the presence of DNA

Site dilution of two-dimensional honeycomb molecular ferrimagnets AFe^IIFe^III(C₂O₄)₃ (A = (n-C₄H₉)N, P(C₆H₅)₄)

Anhydrous zirconium(IV) sulfate and tin(IV) sulfate: solid Lewis acid catalysts in liquid-phase hydro-acyloxy-addition reactions?

H₂-reduction of Pt/MoO₃ to MoO_x with a large surface area and its catalytic activities for the conversions of heptane and propan-2-ol

FTIR study of the photo-induced reaction of NO + CO on Rh/TiO₂

An EPR and ENDOR study of quartet state nitrogen atoms trapped in irradiated NaN₃ powder

QENS and FTIR studies on binding states of benzene molecules adsorbed in zeolite HZSM-5 at room temperature

FTIR study of adsorption, thermal reactions and photochemistry of benzene on powdered TiO₂

Electrochemistry of Co–Ru hetero-dinuclear porphyrin complex in a Nafion matrix

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