The on-the-fly surface-hopping program system Newton-X: Application to ab initio simulation of the nonadiabatic photodynamics of benchmark systems

Engineering & Materials Science

• Positive ions 83%
• Ultrafast phenomena 75%
• Photobiology 68%
• Photochemical reactions 58%
• Excited states 55%
• Electronic structure 49%
• Absorption spectra 48%
• Computer simulation 36%

Chemistry

• Simulation 63%
• Butatriene 41%
• Application 31%
• Cation 29%
• Pyrazine 27%
• UV Absorption 27%
• Photochemical Reaction 23%
• Excited State 20%
• Electronic State 18%
• Absorption Spectrum 18%
• Surface 8%

Physics & Astronomy

• newton 100%
• simulation 38%
• cations 33%
• pyrazines 29%
• photochemical reactions 23%
• methodology 16%
• electronic structure 15%
• absorption spectra 14%
• excitation 9%