Analysis of binding affinity in drug design based on an ab-initio approach /

Chemical reactivity theory : a density functional view /
Published: (2009)

Recent advances in density functional methods /
Published: (1995)

Density-functional methods in chemistry and materials science /
Published: (1997)

Energy density functional theory of many-electron systems /
by: Kryachko, Eugene S.
Published: (1990)

A method for direct determination of real height from virtual height data for the auroral region of the ionosphere /
by: Klein, Milton M.
Published: (1979)

A chemist's guide to density functional theory /
by: Koch, Wolfram
Published: (2000)

Density functional theory : current trends and applications /
Published: (2025)

Theory and simulation of colloids near interfaces : quantitative mapping of interaction potentials /
by: Lu, Mingqing
Published: (2010)

Density functional theory /
Published: (1999)

Density-functional theory of atoms and molecules /
by: Parr, Robert G., 1921-2017
Published: (1989)

Theoretical alchemy : modeling matter /
by: Harrison, Walter A. (Walter Ashley), 1930-
Published: (2010)

Strong coulomb correlations in electronic structure calculations : beyond the local density approximation /
Published: (2000)

Trace conserving purification for linear scaling [O(N)] methods : a first enhancement to CP2K /
by: Mullin, Jonathan
Published: (2014)

Electron ionization and loss processes and rates /
by: Crain, C. M. (Cullen Malone), 1920-
Published: (1966)

Modern density functional theory : a tool for chemistry /
Published: (1995)

Principles and applications of density functional theory in inorganic chemistry II /
Published: (2004)

Physics of strongly coupled plasma /
by: Fortov, V. E.
Published: (2006)

Interatomic forces in condensed matter /
by: Finnis, Mike
Published: (2003)

Density functionals : theory and applications : proceedings of the Tenth Chris Engelbrecht Summer School in Theoretical Physics held at Meerensee, near Cape Town South Africa, 19-29 January 1997 /
Published: (1998)

Density functional methods in chemistry /
Published: (1991)

Electronic structure methods for complex materials : the orthogonalized linear combination of atomic orbitals /
by: Ching, Wai-Yim
Published: (2012)

Prediction of total electron content using the international reference ionosphere /
by: McNamara, L. F.
Published: (1983)

DFT beyond the ground state : proceedings of the Summer School, Riksgränsen, Sweden, June 22-30, 2003 /
Published: (2004)

Chemical applications of density-functional theory /
Published: (1996)

Density functional theory of molecules, clusters, and solids /
Published: (1995)

Gas flux and density surrounding a cylindrical aperture in the free molecular flow regime /
by: Soulas, George C. (George Chris), 1966-
Published: (2011)

Determination of ionospheric electron density profiles from satellite UV emission measurements /
Published: (1984)

The Response of the total electron content of the ionosphere over North America to the total solar eclipse of 26 February 1979 /
Published: (1983)

Determination of ionospheric electron density profiles from satellite UV emission measurements, FY 84 /
Published: (1985)

A primer in density functional theory /
Published: (2003)

Electron, spin and momentum densities and chemical reactivity /
Published: (2000)

Planewaves, pseudopotentials, and the LAPW method /
by: Singh, David J. (David Joseph), 1958-
Published: (2006)

Time-dependent density-functional theory : concepts and applications /
by: Ullrich, Carsten
Published: (2012)

Generating atomistic slab surfaces with adsorbates /
by: Paul, Joshua T, et al.
Published: (2017)

Electron, spin and momentum densities and chemical reactivity /
Published: (2002)

Planewaves, pseudopotentials, and the LAPW method /
by: Singh, David J. (David Joseph), 1958-
Published: (1994)