| Mechanism of charge transport in self-organizing organic materials | 2008/01/01 | English | 178 |
| Electronic structures of graphene edges and nanographene | 2007/10/01 | English | 176 |
| The chemistry of meteoric metals in the Earth's upper atmosphere | 1991/01/01 | English | 170 |
| Equilibrium isomeric mixtures: potential energy hypersurfaces as the origin of the overall thermodynamics and kinetics | 1987/01/01 | English | 168 |
| Energy landscapes: calculating pathways and rates | 2006/01/01 | English | 159 |
| Theory and simulation of jump dynamics, diffusion and phase equilibrium in nanopores | 2000/04/01 | English | 151 |
| Spectroscopic and theoretical studies of CH+3-Rgnclusters (Rg=He, Ne, Ar): From weak intermolecular forces to chemical reaction mechanisms | 2003/07/01 | English | 149 |
| Electronically non-adiabatic interactions of molecules at metal surfaces: Can we trust the Born–Oppenheimer approximation for surface chemistry? | 2004/10/01 | English | 146 |
| Classical trajectory simulations of post-transition state dynamics | 2008/07/01 | English | 145 |
| Structure and dynamics of quantum clusters | 1994/03/01 | English | 140 |
| Probing the intermediates in the MO + CH4↔ M + CH3OH reactions by matrix isolation infrared spectroscopy | 2008/01/01 | English | 138 |
| Molecular vibrational energy flow: Beyond the Golden Rule | 1998/04/01 | English | 133 |
| Structural, photophysical and lasing properties of pyrromethene dyes | 2005/04/01 | English | 132 |
| Quantum control landscapes | 2007/10/01 | English | 125 |
| What are the basic mechanisms of electronic transitions in molecular dynamic processes? | 1991/04/01 | English | 123 |
| Progress in computer simulations of liquid crystals | 2005/07/01 | English | 120 |
| Hydrated Complexes: Relevance to Atmospheric Chemistry and Climate | 2003/01/01 | English | 118 |
| Nonlinear optical properties of quasilinear conjugated oligomers, polymers and organic molecules | 1997/10/01 | English | 114 |
| Sugars in the gas phase. Spectroscopy, conformation, hydration, co-operativity and selectivity | 2005/07/01 | English | 112 |
| Application of ion chemistry and the SIFT technique to the quantitative analysis of trace gases in air and on breath | 1996/03/01 | English | 112 |
| Molecule formation in ultracold atomic gases | 2006/10/01 | English | 111 |
| Vibronic transitions in rare earth spectroscopy | 1992/03/01 | English | 111 |
| Diffusion Monte Carlo approaches for investigating the structure and vibrational spectra of fluxional systems | 2006/01/01 | English | 111 |
| Photoelectron imaging of negative ions | 2008/01/01 | English | 111 |
| (H2O)2: spectroscopy, structure and dynamics | 1991/04/01 | English | 110 |
| The H+H2reactive system. Progress in the study of the dynamics of the simplest reaction | 2005/01/01 | English | 110 |
| The kinetics of phase transitions observed by energy-dispersive X-ray diffraction | 1999/04/01 | English | 109 |
| Photo induced three body decay | 1997/01/01 | English | 106 |
| Physical and chemical characterization of bioaerosols – Implications for nucleation processes | 2009/01/01 | English | 105 |
| Experimental benchmarks and phenomenology of interatomic forces: open-shell and electronic anisotropy effects | 2006/01/01 | English | 104 |