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Journal of Chemical Physics
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Calculation of the Total Energy Per Unit Cell and of the Band Structures of the Five N...
Hybrid Functional Investigations of Band Gaps and Band Alignments for AlN, GaN, InN, a...
Exploring the dynamics of dimer crossing over a Kramers type potential
A new thermodynamic model for the hard-core fluid with a Yukawa tail
First-principles Calculation of the Conformation and Electronic Structure of Polyparap...
Nitroxide spin exchange due to re-encounter collisions in a series of n-alkanes.
An effective structure prediction method for layered materials based on 2D particle sw...
Density functional calculations on the structure of crystalline polyethylene under hig...