A semi-empirical and ab initio combined approach for the full conformational searches of gaseous lysine and lysine–H2O complex

Note on an Approximation Treatment for Many-Electron Systems

CHR. KN. MØLLER, M. S. Plesset · Physical Review · 1934 · 14.6K citations

Natural Sciences, Physics, Quantum Chemistry +11

Quantum Calculation of Molecular Energies and Energy Gradients in Solution by a Conductor Solvent Model

Vincenzo Barone, Maurizio Cossi · The Journal of Physical Chemistry A · 1998 · 10K citations

Natural Sciences, Chemistry, Physics +15

Harmonic Vibrational Frequencies:  An Evaluation of Hartree−Fock, Møller−Plesset, Quadratic Configuration Interaction, Density Functional Theory, and Semiempirical Scale Factors

Anthony P. Scott, Leo Radom · The Journal of Physical Chemistry · 1996 · 6.7K citations

Natural Sciences, Chemistry, Physics +14

Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update

E. P. HUNTER, Sharon G. Lias · Journal of Physical and Chemical Reference Data · 1998 · 2.7K citations

Natural Sciences, Chemistry, Physics +14

Pressure and Density Series Equations of State for Steam as Derived from the Haar–Gallagher–Kell Formulation

R. A. Dobbins, K. Mohammed, D. A. Sullivan · Journal of Physical and Chemical Reference Data · 1988 · 1.3K citations

Natural Sciences, Chemical Engineering, Atmospheric Thermodynamics +12