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Research Outputs
CHEMICAL PHYSICS
Journal
Identifier:
E035162
ISSN:
0301-0104
Overview
Overview
Research Outputs (27)
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Ab initio calculations of oxygen nuclear quadrupole coupling constants and oxygen and silicon NMR shielding constants in molecules containing Si-O bonds
Academic Article
Activation free energy for proton transfer in solution
Academic Article
Calculation of electric dipole hypershielding at the nuclei in diatomic molecules
Academic Article
Computer simulation of dichloromethane. II. Molecular dynamics
Academic Article
Constrained molecular dynamics and the mean potential for an ion pair in a polar solvent
Academic Article
Dimerization of green sensitizing cyanines in solution. A spectroscopic and theoretical study of the bonding nature
Academic Article
Electromagnetic moments and fields induced by nuclear spin, vibrational electric and magnetic field at the nuclei, and nuclear electromagnetic couplings in molecules
Academic Article
INTRAMOLECULAR CHARGE-TRANSFER AND TRANS-CIS ISOMERIZATION OF THE DCM STYRENE DYE IN POLAR-SOLVENTS - A CS INDO MRCI STUDY
Academic Article
Ion pairing of bisdimethylamino pentamethinecyanine perchlorate and its consequences on the cis-trans photoisomerization dynamics
Academic Article
Itinerant oscillation with a cosine potential
Academic Article
Matrix trapping site for H atoms trapped in Ne and Ar
Academic Article
Molecular dynamics computer simulation of liquid dichloromethane. I. Equilibrium properties
Academic Article
Molecular response to a time-independent non-uniform magnetic-field
Academic Article
Morphology and trap luminescence in thin oligothiophene films on HOPG
Academic Article
NMR chemical shifts of CX and XCY molecules (X,Y=O,S,Se,Te): a comparison of coupled Hartree-Fock, semiempirical REX and experimental results
Academic Article
Polarization of cis-trans photoisomerization funnels, size and suddenness
Academic Article
Polymorphs of alpha-sexithiophene probed by lattice phonon Raman microscopy
Academic Article
Ring current models for acetylene and ethylene molecules
Academic Article
Solvent effects within the CS INDO method. Geometrical distortion and solvatochromism of merocyanine dyes
Academic Article
Solvent influence on absorption and fluorescence spectra of merocyanine dyes: a theoretical and experimental study
Academic Article
Sum rules related to third-order properties: a numerical check
Academic Article
TRANS CIS PHOTOISOMERIZATION MECHANISM OF CARBOCYANINES - EXPERIMENTAL CHECK OF THEORETICAL-MODELS
Academic Article
The Theory of Sternheimer Shielding in Molecules in External Fields
Academic Article
Theoretical and experimental study of the electronic spectrumand photophysics of Michler’s hydrol blue
Academic Article
Theoretical determination of paramagnetic susceptibilities from nuclear electromagnetic shieldings
Academic Article
Thomas-Reiche-Khun populations in X-CH3 and X-C2H5 series of molecules
Academic Article
Thomas-Reiche-Kuhn populations in alkanes
Academic Article
No Results Found
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