Articoli con mandati relativi all'accesso pubblico - Benjamin G. JaneskoUlteriori informazioni
Non disponibili pubblicamente: 16
Hybrid functionals including random phase approximation correlation and second-order screened exchange
J Paier, BG Janesko, TM Henderson, GE Scuseria, A Grüneis, G Kresse
The Journal of chemical physics 132 (9), 2010
Mandati: Austrian Science Fund
Comparative study of nonhybrid density functional approximations for the prediction of 3d transition metal thermochemistry
JJ Determan, K Poole, G Scalmani, MJ Frisch, BG Janesko, AK Wilson
Journal of chemical theory and computation 13 (10), 4907-4913, 2017
Mandati: US National Science Foundation
An orbital-overlap complement to ligand and binding site electrostatic potential maps
A Mehmood, SI Jones, P Tao, BG Janesko
Journal of Chemical Information and Modeling 58 (9), 1836-1846, 2018
Mandati: US National Science Foundation
Quantifying electron delocalization in electrides
BG Janesko, G Scalmani, MJ Frisch
Journal of Chemical Theory and Computation 12 (1), 79-91, 2016
Mandati: US National Science Foundation
Assessment of a density functional with full exact exchange and balanced non-locality of correlation
CA Jimenez-Hoyos, BG Janesko, GE Scuseria, VN Staroverov, ...
Molecular Physics 107 (8-12), 1077-1088, 2009
Mandati: US National Institutes of Health
Reducing density-driven error without exact exchange
BG Janesko
Physical Chemistry Chemical Physics 19 (6), 4793-4801, 2017
Mandati: US National Science Foundation
Electron delocalization range in atoms and on molecular surfaces
BG Janesko, KB Wiberg, G Scalmani, MJ Frisch
Journal of chemical theory and computation 12 (7), 3185-3194, 2016
Mandati: US National Science Foundation
Topological analysis of the electron delocalization range
BG Janesko
Journal of Computational Chemistry 37 (21), 1993-2005, 2016
Mandati: US National Science Foundation
Virtual experiments on real asphaltenes: Predicting properties using quantum chemical simulations of structures from non-contact atomic force microscopy
BG Janesko, EN Brothers
Energy & Fuels 36 (16), 8714-8724, 2022
Mandati: US National Science Foundation
Half-pancake bonding in asphaltenes
BG Janesko, EN Brothers
Energy & Fuels 35 (19), 15657-15662, 2021
Mandati: US National Science Foundation
Density functionals for nondynamical correlation constructed from an upper bound to the exact exchange energy density
BG Janesko, G Scalmani, MJ Frisch
Molecular Physics 117 (9-12), 1226-1241, 2019
Mandati: US National Science Foundation
Delocalization error in DFT-predicted extreme long-range functionalization of carbon-doped hexagonal boron nitride
BG Janesko
The Journal of Physical Chemistry C 123 (24), 15062-15070, 2019
Mandati: US National Science Foundation
Strong correlation in surface chemistry
BG Janesko
Molecular Simulation 43 (5-6), 394-405, 2017
Mandati: US National Science Foundation
Attractive Nonbonded Interactions Help Stabilize the Z Form of Alkenyl Anions
BG Janesko, H Villegas
The Journal of Organic Chemistry 83 (15), 8208-8213, 2018
Mandati: US National Science Foundation
Density functionals with full nonlocal exchange, nonlocal rung‐3.5 correlation, and D3 dispersion: Combined accuracy for general main‐group thermochemistry, kinetics, and …
C Ramos, J Muehlbrad, BG Janesko
Journal of Computational Chemistry 42 (27), 1974-1981, 2021
Mandati: US National Science Foundation
Comparing Density Functional Theory Metal–Ligand Bond Dissociation Enthalpies with Experimental Solution-Phase Enthalpies of Activation for Bond Dissociation
EN Brothers, AA Bengali, G Scalmani, BG Janesko, P Verma, DG Truhlar, ...
The Journal of Physical Chemistry A 127 (46), 9695-9704, 2023
Mandati: US National Science Foundation
Disponibili pubblicamente: 35
Screened hybrid density functionals for solid-state chemistry and physics
BG Janesko, TM Henderson, GE Scuseria
Physical Chemistry Chemical Physics 11 (3), 443-454, 2009
Mandati: US National Institutes of Health
Generalized gradient approximation model exchange holes for range-separated hybrids
TM Henderson, BG Janesko, GE Scuseria
The Journal of chemical physics 128 (19), 2008
Mandati: US National Institutes of Health
Observing metal-catalyzed chemical reactions in situ using surface-enhanced Raman spectroscopy on Pd− Au nanoshells
KN Heck, BG Janesko, GE Scuseria, NJ Halas, MS Wong
Journal of the American Chemical Society 130 (49), 16592-16600, 2008
Mandati: US National Institutes of Health
Adenine− and adenosine monophosphate (AMP)− gold binding interactions studied by surface-enhanced Raman and infrared spectroscopies
J Kundu, O Neumann, BG Janesko, D Zhang, S Lal, A Barhoumi, ...
The Journal of Physical Chemistry C 113 (32), 14390-14397, 2009
Mandati: US National Institutes of Health
Le informazioni sulla pubblicazione e sul finanziamento vengono stabilite automaticamente da un software