| 1 |
Electrostatics, Charge Transfer, and the Nature of the Halide-Water Hydrogen Bond
Herbert JM, Carter-Fenk K
Journal of Physical Chemistry A, 125(5), 1243, 2021 |
| 2 |
Ab Initio Approach to Femtosecond Stimulated Raman Spectroscopy: Investigating Vibrational Modes Probed in Excited-State Relaxation of Quaterthiophenes
Dasgupta S, Herbert JM
Journal of Physical Chemistry A, 124(31), 6356, 2020 |
| 3 |
Using Atomic Confining Potentials for Geometry Optimization and Vibrational Frequency Calculations in Quantum-Chemical Models of Enzyme Active Sites
Dasgupta S, Herbert JM
Journal of Physical Chemistry B, 124(7), 1137, 2020 |
| 4 |
How Well Does a Solvated Octa-acid Capsule Shield the Embedded Chromophore? A Computational Analysis Based on an Anisotropic Dielectric Continuum Model
Aksu H, Paul SK, Herbert JM, Dunietz BD
Journal of Physical Chemistry B, 124(32), 6998, 2020 |
| 5 |
Ab Initio Investigation of the Resonance Raman Spectrum of the Hydrated Electron
Dasgupta S, Rana B, Herbert JM
Journal of Physical Chemistry B, 123(38), 8074, 2019 |
| 6 |
The Hydrated Electron at the Surface of Neat Liquid Water Appears To Be Indistinguishable from the Bulk Species
Coons MP, You ZQ, Herbert JM
Journal of the American Chemical Society, 138(34), 10879, 2016 |
| 7 |
Accurate and Efficient Quantum Chemistry Calculations for Noncovalent Interactions in Many-Body Systems: The XSAPT Family of Methods
Lao KU, Herbert JM
Journal of Physical Chemistry A, 119(2), 235, 2015 |
| 8 |
Experimental Benchmark Data and Systematic Evaluation of Two a Posteriori, Polarizable-Continuum Corrections for Vertical Excitation Energies in Solution
Mewes JM, You ZQ, Wormit M, Kriesche T, Herbert JM, Dreuw A
Journal of Physical Chemistry A, 119(21), 5446, 2015 |
| 9 |
Optical Spectroscopy of the Bulk and Interfacial Hydrated Electron from Ab Initio Calculations
Uhlig F, Herbert JM, Coons MP, Jungwirth P
Journal of Physical Chemistry A, 118(35), 7507, 2014 |
| 10 |
Excited-State Deactivation Pathways in Uracil versus Hydrated Uracil: Solvatochromatic Shift in the (1)n pi* State is the Key
Zhang X, Herbert JM
Journal of Physical Chemistry B, 118(28), 7806, 2014 |
