Chemical Physics Letters - Volume 417 - Issues 1-3 

Time-resolved EPR and laser photolysis investigations of photoinduced ω-bond dissociation in an aromatic carbonyl compound having triplet π,π* character

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Reduced-dimensionality and direct trajectory calculations for the C(3PJ) + NH2(2B1) reaction

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A new nonlinear Raman probe for local structures in liquids and solutions

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About the co-product of the OH radical in the reaction of acetyl with O2 below atmospheric pressure

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Evidence for a blue-shifting intramolecular hydrogen bond in the vibrational overtone spectrum of 1H-nonafluorobutane

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Photoionization of NO molecule in two-color femtosecond pulse laser fields

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Related matrices of DNA primary sequences based on triplets of nucleic acid bases

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An essential role of CO2 and H2O during single-walled CNT synthesis from carbon monoxide

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The effect of stoichiometry on ab initio-based thermochemistry predictions

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Is solvated trans-azobenzene twisted or planar?

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Photo-luminescence studies of strontium barium niobate crystals doped with Cr3+ ions

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Energy dispersive X-ray diffraction and molecular dynamics meet: The structure of liquid pyrrole

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Hot band spectroscopy of CCO in the C-O stretching region: The (ν1 + 2ν3) − 2ν3 and (2ν1 + ν3) − (ν1 + ν3) bands

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Some aspects of metal-support strong interactions in Rh/Al2O3 catalyst under oxidising and reducing conditions

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Growth control of homogeneous pulsed electrodeposited Co thin films on n-doped Si(1 1 1) substrates

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Electron spin echo envelope modulation spectroscopy with g-value and orientation filters

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Surface-enhanced Raman scattering of 4-mercaptopyridine on thin films of nanoscale Pd cubes, boxes, and cages

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Dipole and quadrupole (hyper)polarizability for the asymmetric stretching of carbon dioxide: Improved agreement between theory and experiment

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Adaptive density partitioning technique in the auxiliary plane wave method

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Ionic fragmentation processes of core-excited α-alanine in gas phase

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Dipole moments of water molecules confined in Na-LSX zeolites - Molecular dynamics simulations including polarization of water

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DFT and ab initio calculations on the reaction between fluorine atoms and the fire suppressant, 2-H heptafluoropropane

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Multi-phonon absorption spectra of dipicolinic acid

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Ultrafast ring opening reaction of a photochromic indolyl-fulgimide

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Lattice dynamics of single-bonded cubic nitrogen

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Evaluation of nonlinear optical polymers for second-harmonic generation: toward the balance of absorption and nonlinearity against intrinsic trade-off

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Atomic arrangement of Al-induced clusters on Si(0 0 1) surface at high temperature

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Adsorption of alkali metals on Ge(0 0 1)(2 × 1) surface

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A Lu index for QSAR/QSPR studies

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Revisiting the variational nature of the quantum theory of atoms in molecules

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Layer-selective epitaxial self-assembly of porphyrins on ultrathin insulators

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A DFT study on the microscopic ionization of cysteine in water

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TenS4+ (n = 1-4) clusters in the gas phase

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A novel route to pH oscillators

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Identifying spectator bonds in modeling reactions: OH + CO → H + CO2

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Suppression of undesired peaks due to residual intermolecular dipolar interactions in liquid NMR

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A modified Ehrenfest method that achieves Boltzmann quantum state populations

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A new technique for cross polarization in solid-state NMR compatible with high spinning frequencies and high magnetic fields

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Free energy perturbation and dynamical nucleation study of water dimer and trimer through TIP5P water model

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The morphology of thin water films on Pt(1 1 1) probed by chloroform adsorption

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Raman and SERS investigation of isolated sp carbon chains

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Photodissociation of 2,2-diphenylhexamethyltrisilane in a supersonic molecular beam

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Vibrationally resolved C and O 1s photoelectron spectra of carbon monoxides

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A VB calculation for the excited 1Σu+ bound state of the H2 molecule

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Interaction energy decomposition analysis for formic acid complexes with argon and krypton atoms

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Dynamics of a nanowire in twisted nematic liquid crystal

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Substituent effect on the nonradiative decay rates from 3MLCT excited state of ruthenium(II) complexes: A quantum chemical treatment

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Oxidation of methionine methyl ester in aqueous solution: A combined pulse radiolysis and quantum chemical study

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Laser-induced photo-catalytic removal of phenol using n-type WO3 semiconductor catalyst

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Solid/liquid interfacial tension as a tool to study stability of lysozyme on adsorption to solid surfaces

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Selenium nanotube synthesized via a facile template-free hydrothermal method

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