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most citedFast and Accurate Modeling of Molecular Atomization Energies with Machine Learning

2.4k citations

Showing 2010 · physics.chem-phShow all

8 papers · 2 filters

physics.chem-ph2010★ 39 cited

Multiple packets of neutral molecules revolving for over a mile

Peter C. Zieger, Sebastiaan Y. T. van de Meerakker, Cynthia E. Heiner +3

The level of control that one has over neutral molecules in beams dictates their possible applications. Here we experimentally demonstrate that state-selected, neutral molecules ca…

physics.chem-ph2010★ 80 cited

State- and conformer-selected beams of aligned and oriented molecules for ultrafast diffraction studies

Frank Filsinger, Gerard Meijer, Henrik Stapelfeldt +2

The manipulation of the motion of neutral molecules with electric or magnetic fields has seen tremendous progress over the last decade. Recently, these techniques have been extende…

physics.chem-ph2010★ 81 cited

Ionization of oriented carbonyl-sulfide molecules by intense circularly polarized laser pulses

Darko Dimitrovski, Mahmoud Abu-samha, Lars Bojer Madsen +7

We present combined experimental and theoretical results on strong-field ionization of oriented carbonyl-sulphide molecules by circularly-polarized laser pulses. The obtained molec…

physics.chem-ph2010★ 70 cited

Ionization of 1D and 3D oriented asymmetric top molecules by intense circularly polarized femtosecond laser pulses

Jonas L. Hansen, Lotte Holmegaard, Line Kalhøj +9

We present a combined experimental and theoretical study on strong-field ionization of a three-dimensionally oriented asymmetric top molecule, benzonitrile (CHN), by circul…

physics.chem-ph2010★ 25 cited

Microwave Lens for Polar Molecules

Hitoshi Odashima, Simon Merz, Katsunari Enomoto +2

We here report on the implementation of a microwave lens for neutral polar molecules suitable to focus molecules both in low-field-seeking and in high-field-seeking states. By usin…

physics.chem-ph2010★ 13 cited

Fine-tuning molecular energy levels by nonresonant laser pulses

Mikhail Lemeshko, Bretislav Friedrich

We evaluate the shifts imparted to vibrational and rotational levels of a linear molecule by a nonresonant laser field at intensities of up to 10^12 W/cm^2. Both types of shift are…

physics.chem-ph2010★ 53 cited

Basis set effects on the hyperpolarizability of CHCl_3: Gaussian-type orbitals, numerical basis sets and real-space grids

Fernando Vila, David Strubbe, Yoshinari Takimoto +4

Calculations of the hyperpolarizability are typically much more difficult to converge with basis set size than the linear polarizability. In order to understand these convergence i…

physics.chem-ph2010★ 12 cited

When diffraction rules the stereodynamics of rotationally inelastic collisions

Mikhail Lemeshko, Pablo G. Jambrina, Marcelo P. de Miranda +1

Following upon our recent work on vector correlations in the Ar-NO collisions [PCCP 12, 1038 (2010)], we compare model results with close-coupling calculations for a range of chann…