Application of RESP charges to calculate conformational energies, hydrogen bond energies, and free energies of solvation Export

@article{cornell:93, abstract = {doi: 10.1021/ja00074a030}, author = {Cornell, Wendy D. and Cieplak, Piotr and Bayly, Christopher I. and Kollmann, Peter A.}, citeulike-article-id = {3866483}, citeulike-linkout-0 = {http://dx.doi.org/10.1021/ja00074a030}, citeulike-linkout-1 = {http://pubs.acs.org/doi/abs/10.1021/ja00074a030}, day = {1}, doi = {10.1021/ja00074a030}, journal = {Journal of the American Chemical Society}, keywords = {ab-initio, charges, interactions, quantum-mechanics, solvation}, month = {October}, number = {21}, pages = {9620--9631}, posted-at = {2009-01-09 01:55:58}, priority = {0}, title = {Application of RESP charges to calculate conformational energies, hydrogen bond energies, and free energies of solvation}, url = {http://dx.doi.org/10.1021/ja00074a030}, volume = {115}, year = {1993} }

TY - JOUR ID - cornell:93 L3 - citeulike-article-id:3866483 N2 - doi: 10.1021/ja00074a030 IS - 21 JF - Journal of the American Chemical Society EP - 9631 TI - Application of RESP charges to calculate conformational energies, hydrogen bond energies, and free energies of solvation VL - 115 SP - 9620 KW - ab-initio KW - charges KW - interactions KW - quantum-mechanics KW - solvation AU - Cornell, Wendy AU - Cieplak, Piotr AU - Bayly, Christopher AU - Kollmann, Peter PY - 1993/10/01/ UR - http://dx.doi.org/10.1021/ja00074a030 ER -