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Journal of Computational Chemistry|January 9, 2010
Thermal dissociation of tripropylamine as the first step in the growth of carbon nanotubes inside AlPO4-5 channelsJ W Liu, Z F LiuJournal of Computational Chemistry|November 3, 2017
Electrostatics for probing lone pairs and their interactionsPadinjare Veetil Bijina, Cherumuttathu H Suresh, Shridhar R GadreJournal of Computational Chemistry|November 20, 2017
A reference-free stockholder partitioning method based on the force on electronsStijn Fias, Farnaz Heidar-Zadeh, James S M Anderson, et al.Journal of Computational Chemistry|November 22, 2017
A force-field study of the conformational characteristics of the iduronate ringMassimo Ragazzi, Dino R Ferro, Augusto ProvasoliJournal of Computational Chemistry|November 22, 2017
Matrix elements for anharmonic potentials: Application to I2 morse oscillatorG Delgado-Barrio, A M Cortina, A Varadé, et al.Journal of Computational Chemistry|November 22, 2017
Molecular mechanics and molecular shape. III. Surface area and cross-sectional areas of organic moleculesA Y MeyerJournal of Computational Chemistry|November 22, 2017
A minimal multiconfigurational techniqueJ Fernández Rico, M Paniagua, J M GarcíA De La Vega, et al.Journal of Computational Chemistry|November 22, 2017
CERES: An ab initio code dedicated to the calculation of the electronic structure and magnetic properties of lanthanide complexesSimone Calvello, Matteo Piccardo, Shashank Vittal Rao, et al.Journal of Computational Chemistry|November 9, 2017
Application of reference-modified density functional theory: Temperature and pressure dependences of solvation free energyTomonari Sumi, Yutaka Maruyama, Ayori Mitsutake, et al.Journal of Computational Chemistry|February 28, 2018
Parametric models to compute tryptophan fluorescence wavelengths from classical protein simulationsAlvaro J Lopez, Leandro MartínezPageof 593