Authors: Gordon, MS Freitag, MA Bandyopadhyay, P Jensen, JH Kairys, V Stevens, WJ

Citation: Ms. Gordon et al., The effective fragment potential method: A QM-based MM approach to modeling environmental effects in chemistry, J PHYS CH A, 105(2), 2001, pp. 293-307

Authors: Minikis, RM Kairys, V Jensen, JH

Citation: Rm. Minikis et al., Accurate intraprotein electrostatics derived from first principles: An effective fragment potential method study of the proton affinities of lysine 55 and tyrosine 20 in turkey ovomucoid third domain, J PHYS CH A, 105(15), 2001, pp. 3829-3837

Authors: Kairys, V Jensen, JH

Citation: V. Kairys et Jh. Jensen, QM/MM boundaries across covalent bonds: A frozen localized molecular orbital-based approach for the effective fragment potential method, J PHYS CH A, 104(28), 2000, pp. 6656-6665

Authors: Head, JD Kairys, V Shi, Y

Citation: Jd. Head et al., Computation of adsorbate vibrational frequencies: methyl, methylidyne and methoxy adsorbed on the Al(111) surface, THEOCHEM, 464(1-3), 1999, pp. 153-162

Authors: Kairys, V Head, JD

Citation: V. Kairys et Jd. Head, A quantum chemical cluster study of hydrated halide adsorption on the cathodic Al(111) surface, SURF SCI, 440(1-2), 1999, pp. 169-186

Authors: Kairys, V Jensen, JH

Citation: V. Kairys et Jh. Jensen, Evaluation of the charge penetration energy between non-orthogonal molecular orbitals using the Spherical Gaussian Overlap approximation, CHEM P LETT, 315(1-2), 1999, pp. 140-144