| |
| |
Intermolecular interactions and cooperative effects from electronic structure calculations : an effective means for developing interaction potentials for condensed phase simulations | |
| |
| |
| |
Models in theory of molecular liquid mixtures : structure, dynamics and physicochemical properties | |
| |
| |
| |
Classical versus quantum mechanical simulations : the accuracy of computer experiments in solution chemistry | |
| |
| |
| |
Basic concepts and trends in ab initio molecular dynamics | |
| |
| |
| |
Concepts of ionic solvation | |
| |
| |
| |
Real time visualizing of atomic motions in dense phases | |
| |
| |
| |
Reverse Monte Carlo analyses of diffraction data on molecular liquids | |
| |
| |
| |
Structural change and nucleation characteristics of water/ice in confined geometry | |
| |
| |
| |
Solvation structure of chloride and iodide ions studied by means of EXAFS using a compact synchrotron radiation source | |
| |
| |
| |
Ultrasonically induced birefringence in liquids and solutions | |
| |
| |
| |
Novel approaches in spectroscopy of interparticle interactions : vibrational line profiles and anomalous non-coincidence effects | |
| |
| |
| |
Picosecond dynamic processes of molecular liquids in confined spaces : a review of results in porous glasses | |
| |
| |
| |
Photoinduced redox processes in phthalocyanine derivatives by resonance Raman spectroscopy and time resolved techniques | |
| |
| |
| |
Dielectric spectroscopy of solutions | |
| |
| |
| |
Dynamics in intra-molecular polymer mixtures | |
| |
| |
| |
Visco-elastic behavior and small angle scattering of complex fluids | |
| |
| |
| |
Computer simulation studies of solvation dynamics in mixtures | |
| |
| |
| |
Using simulations to study vibrational relaxation of molecules in liquids | |
| |
| |
| |
Computational methods for analyzing the intermolecular resonant vibrational interactions in liquids and the noncoincidence effect of vibrational spectra | |
| |
| |
| |
Multipole-induced dipole contributions to the far-infrared spectra of diatomic molecules in non-polar solvents | |
| |
| |
| |
Recent advances in the understanding of hydrophobic and hydrophilic effects : a theoretical and computer simulation perspective | |
| |
| |
| |
Molecular simulations of Nafion membranes in the presence of polar solvents | |
| |
| |
| |
Computer simulation of mesogens with ab initio interaction potentials : an application to oligophenyls | |
| |
| |
| |
Phase transformations and orientational ordering in chemically disordered polymers - a modern primer | |
| |
| |
| |
Conformational transitions in proteins and membranes | |
| |
| |
| |
Structure, thermodynamics and critical properties of ionic fluids | |
| |