Items where Author is "Major, DT"

Journal article

BAUER, P., BARROZO, A., PURG, M., AMREIN, B.A., ESGUERRA, M., WILSON, P.B., MAJOR, D.T., ÅQVIST, J. and KAMERLIN, S.C.L., 2018. Q6: a comprehensive toolkit for empirical valence bond and related free energy calculations. SoftwareX, 7, pp. 388-395. ISSN 2352-7110