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The Journal of Chemical Physics|August 22, 2023
Accelerating and stabilizing the convergence of vibrational self-consistent field calculations via the direct inversion of the iterative subspace (vDIIS) algorithmEmily L Yang, Ryan J Spencer, Asylbek A Zhanserkeev, et al.Journal of the American Chemical Society|May 4, 2017
Monitoring Water Clusters "Melt" Through Vibrational SpectroscopySandra E Brown, Andreas W Götz, Xiaolu Cheng, et al.The Journal of Physical Chemistry. A|October 17, 2014
Multiple environment single system quantum mechanical/molecular mechanical (MESS-QM/MM) calculations. 1. Estimation of polarization energiesAlexander J Sodt, Ye Mei, Gerhard König, et al.The Journal of Physical Chemistry. A|June 29, 2016
Vibrational Signatures of Conformer-Specific Intramolecular Interactions in Protonated TryptophanAleksandr Y Pereverzev, Xiaolu Cheng, Natalia S Nagornova, et al.IEEE Transactions on Visualization and Computer Graphics|October 31, 2007
Visualization of heterogeneous dataMike Cammarano, Xin Luna Dong, Bryan Chan, et al.Physical Chemistry Chemical Physics : PCCP|April 4, 2024
IR spectroscopic characterization of [M,C,2H]+ (M = Ru and Rh) products formed by reacting 4d transition metal cations with oxirane: Spectroscopic evidence for multireference character in RhCH2Frank J Wensink, Corry E Smink, Brandon C Stevenson, et al.The Journal of Physical Chemistry. A|May 20, 2011
The importance of NO+ (H2O)4 in the conversion of NO+ (H2O)n to H3O+ (H2O)n: I. Kinetics measurements and statistical rate modelingNicole Eyet, Nicholas S Shuman, Albert A Viggiano, et al.The Journal of Physical Chemistry. A|March 13, 2020
Spectroscopic Signatures of Mode-Dependent Tunnel Splitting in the Iodide-Water Binary ComplexJustin J Talbot, Nan Yang, Meng Huang, et al.The Journal of Physical Chemistry. A|August 30, 2008
Direct observation of photoinduced bent nitrosyl excited-state complexesKarma R Sawyer, Ryan P Steele, Elizabeth A Glascoe, et al.Science (New York, N.Y.)|January 16, 2010
How the shape of an H-bonded network controls proton-coupled water activation in HONO formationRachael A Relph, Timothy L Guasco, Ben M Elliott, et al.Pageof 6