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The Journal of Physical Chemistry. A|September 7, 2012
Fundamental vibrational frequencies and spectroscopic constants of HOCS+, HSCO+, and isotopologues via quartic force fieldsRyan C Fortenberry, Xinchuan Huang, Joseph S Francisco, et al.The Journal of Physical Chemistry Letters|February 7, 2019
Diagrammatic Coupled Cluster Monte CarloCharles J C Scott, Roberto Di Remigio, T Daniel Crawford, et al.The Journal of Chemical Physics|October 14, 2011
The trans-HOCO radical: quartic force fields, vibrational frequencies, and spectroscopic constantsRyan C Fortenberry, Xinchuan Huang, Joseph S Francisco, et al.Journal of the American Chemical Society|February 3, 2005
Ab initio calculation of optical rotation in (P)-(+)-[4]triangulaneT Daniel Crawford, Lesley S Owens, Mary C Tam, et al.The Journal of Chemical Physics|December 14, 2011
Vibrational frequencies and spectroscopic constants from quartic force fields for cis-HOCO: the radical and the anionRyan C Fortenberry, Xinchuan Huang, Joseph S Francisco, et al.Physical Chemistry Chemical Physics : PCCP|October 19, 2006
Ab initio and analytic intermolecular potentials for Ar-CH(3)OHUros Tasić, Yuri Alexeev, Grigoriy Vayner, et al.Journal of the American Chemical Society|December 23, 2004
A family of decamethylmetallocene charge-transfer salt magnets using methyl tricyanoethylenecarboxylate (MTCE) as the electron acceptorGuangbin Wang, Carla Slebodnick, Ray J Butcher, et al.Journal of Chemical Theory and Computation|October 3, 2017
Electronically Excited States in Solution via a Smooth Dielectric Model Combined with Equation-of-Motion Coupled Cluster TheoryJ Coleman Howard, James C Womack, Jacek Dziedzic, et al.The Journal of Physical Chemistry. A|July 18, 2025
SEAMM: A Simulation Environment for Atomistic and Molecular ModelingPaul Saxe, Jessica Nash, Mohammad Mostafanejad, et al.Journal of Natural Products|April 6, 2021
Structure Elucidation and Confirmation of Phloroglucinols from the Roots of Garcinia dauphinensis by Comparison of Experimental and Calculated ECD Spectra and Specific RotationsKirk C Pearce, Rolly G Fuentes, Susana Calderon, et al.Pageof 9