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Publications by Denis Flaig
An Extrapolation Method for the Efficient Calculation of Molecular Response Properties Within Born–Oppenheimer Molecular Dynamics
Physical Chemistry Chemical Physics
Theoretical Chemistry
Astronomy
Physics
Physical
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Calculation of Mechanical Properties of Solids Using Molecular Dynamics Method.
Transactions of the Japan Society of Mechanical Engineers Series A
Efficient Calculation of Fragment Molecular Orbital Method With Continuous Multipole Method
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Unconventional Channel of Atmospheric Reaction NO + O3 → NO2 + O2 : A Mechanistic Study Using Born-Oppenheimer Molecular Dynamics
Revista Processos Químicos
On the Calculation of the Tensile Properties of Rubber Using Molecular Dynamics
NIPPON GOMU KYOKAISHI
Non-Adiabaticity Corrections to the Born--Oppenheimer Approximation With Calculations for Mesic and Electronic Hydrogen Molecular Ions.
Non-Born-Oppenheimer Variational Calculation of the Ground-State Vibrational Spectrum of LiH+
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Medicine
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Understanding Liquid–Solid-Like Behavior of Tetrahydrofuran Adlayers at Room Temperature Between Graphene and Mica: A Born–Oppenheimer Molecular Dynamics Study
Journal of Physical Chemistry C
Surfaces
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Nanoscience
Theoretical Chemistry
Optical
Magnetic Materials
Films
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Electronic
Coatings
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Birkhoff Normal Forms for Born-Oppenheimer Operators
International Journal of Analysis and Applications
Non-Born-Oppenheimer Theory for Simultaneous Determination of Nuclear and Electronic Wave Functions: Nuclear Orbital Plus Molecular Orbital (NOMO) Theory
Molecular Science
