Mark A. Vincent

Computer simulation of zeolite structure and reactivity using embedded cluster methods

Paul Sherwood, Alex H. de Vries, Simon J. Collins et al. · Faraday Discussions · 1997 · 210 citations

Engineering, Material Simulation, Simulation +24

Revitalizing the concept of bond order through delocalization measures in real space

Carlos Outeiral, Mark A. Vincent, Ángel Martín Pendás et al. · Chemical Science · 2018 · 154 citations · Full text

Analytic second derivative techniques for self-consistent-field wave functions. A new approach to the solution of the coupled perturbed hartree-fock equations

Yoshihiro Osamura, Y. Yamaguchi, Paul Saxe et al. · Journal of Molecular Structure THEOCHEM · 1983 · 143 citations

Numerical Analysis, Perturbation Method, Physics +7

Unified theoretical treatment of analytic first and second energy derivatives in open-shell Hartree—Fock theory

Yoshihiro Osamura, Yukio Yamaguchi, Paul Saxe et al. · Chemical Physics · 1982 · 131 citations

Theoretical Treatment, Physics, Potential Theory +6

Vibrational frequency shifts in hydrogen-bonded systems: the hydrogen fluoride dimer and trimer

Jeffrey F. Gaw, Yukio Yamaguchi, Mark A. Vincent et al. · Journal of the American Chemical Society · 1984 · 131 citations

Trimerjeffrey F. Gaw, Engineering, Chemical Analysis +18