Search Results - "Rusnak, Andrew J" :: K.UTB vyhledávací portál | TBU Library Retrieval Portal

Static dielectric constants and molecular dipole distributions of liquid water and ice-Ih investigated by the PAW-PBE exchange-correlation functional

Static dielectric constants and molecular dipole distributions of liquid water and ice-Ih investigated by the PAW-PBE exchange-correlation functional

by Rusnak, Andrew J, Pinnick, Eric R, Calderon, Camilo E, Wang, Feng
Published in The Journal of chemical physics (21.07.2012)

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Journal Article

Achieving fast convergence of ab initio free energy perturbation calculations with the adaptive force-matching method

Achieving fast convergence of ab initio free energy perturbation calculations with the adaptive force-matching method

by Pinnick, Eric R., Calderon, Camilo E., Rusnak, Andrew J., Wang, Feng
Published in Theoretical chemistry accounts (01.03.2012)

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Journal Article