Charge Transfer and Blue Shifting of Vibrational Frequencies in a Hydrogen Bond Acceptor
Wright, Ashley M, Howard, Austin A, Howard, J. Coleman, Tschumper, Gregory S, Hammer, Nathan I
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (03.07.2013)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (03.07.2013)
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Journal Article
Getting down to the Fundamentals of Hydrogen Bonding: Anharmonic Vibrational Frequencies of (HF)2 and (H2O)2 from Ab Initio Electronic Structure Computations
Howard, J. Coleman, Gray, Jessica L, Hardwick, Amanda J, Nguyen, Linh T, Tschumper, Gregory S
Published in Journal of chemical theory and computation (09.12.2014)
Published in Journal of chemical theory and computation (09.12.2014)
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Journal Article
Performance of Property-Optimized Basis Sets for Optical Rotation with Coupled Cluster Theory
Howard, J. Coleman, Sowndarya S. V, Shree, Ansari, Imaad M, Mach, Taylor J, Baranowska-Łączkowska, Angelika, Crawford, T. Daniel
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (19.07.2018)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (19.07.2018)
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Journal Article
Electronically Excited States in Solution via a Smooth Dielectric Model Combined with Equation-of-Motion Coupled Cluster Theory
Howard, J. Coleman, Womack, James C, Dziedzic, Jacek, Skylaris, Chris-Kriton, Pritchard, Benjamin P, Crawford, T. Daniel
Published in Journal of chemical theory and computation (14.11.2017)
Published in Journal of chemical theory and computation (14.11.2017)
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Journal Article