Anaerobic digestion of agricultural manure and biomass–critical indicators of risk and knowledge gaps

R Nag, A Auer, BK Markey, P Whyte, S Nolan… - Science of the total …, 2019 - Elsevier
Anaerobic digestion (AD) has been identified as a potential green technology to treat food
and municipal waste, agricultural residues, including farmyard manure and slurry (FYM&S), to …

Automatic generation of auxiliary basis sets

GL Stoychev, AA Auer, F Neese - Journal of chemical theory and …, 2017 - ACS Publications
A procedure was developed to automatically generate auxiliary basis sets (ABSs) for use
with the resolution of the identity (RI) approximation, starting from a given orbital basis set (OBS…

The dimension of ice crystals in natural clouds

AH Auer Jr, DL Veal - Journal of Atmospheric Sciences, 1970 - journals.ametsoc.org
The dimensions of over 1500 natural ice crystals occurring in orographic and cumuliform
clouds were obtained by studying the replicated crystals under microscopic magnification. …

Hydrogen peroxide electrochemistry on platinum: towards understanding the oxygen reduction reaction mechanism

…, U Benedikt, PU Biedermann, AA Auer… - Physical Chemistry …, 2012 - pubs.rsc.org
Understanding the hydrogen peroxide electrochemistry on platinum can provide information
about the oxygen reduction reaction mechanism, whether H2O2 participates as an …

Parallel calculation of CCSD and CCSD (T) analytic first and second derivatives

…, T Metzroth, J Gauss, AA Auer - Journal of Chemical …, 2008 - ACS Publications
In this paper we present a parallel adaptation of a highly efficient coupled-cluster algorithm
for calculating coupled-cluster singles and doubles (CCSD) and coupled-cluster singles and …

Quantitative prediction of gas-phase nuclear magnetic shielding constants

AA Auer, J Gauss, JF Stanton - The Journal of chemical physics, 2003 - pubs.aip.org
Benchmark calculations of C 13 nuclear magnetic shielding constants are performed for a
set of 16 molecules. It is demonstrated that near-quantitative accuracy (∼1–2 ppm deviation …

Decomposition of intermolecular interaction energies within the local pair natural orbital coupled cluster framework

…, M Sparta, M Saitow, C Riplinger, AA Auer… - Journal of chemical …, 2016 - ACS Publications
The local coupled cluster method DLPNO-CCSD(T) allows calculations on systems
containing hundreds of atoms to be performed while typically reproducing canonical CCSD(T) …

Ecosystem services research in contrasting socio-ecological contexts of Argentina: Critical assessment and future directions

…, LP Herrera, SH Villarino, MP Barral, AD Auer - Ecosystem Services, 2015 - Elsevier
In Argentina, agricultural expansion and intensification has stimulated the utilization of the
ecosystem services (ES) approach to understand the consequences of land-use and land-…

Correlation of land use and cover with meteorological anomalies

AH Auer Jr - Journal of Applied Meteorology and Climatology, 1978 - journals.ametsoc.org
Aerial reconnaissance of the greater St. Louis area has led to the identification and
classification of land use types. The land use classification provides as much compatibility as …

Radical activation of N–H and O–H bonds at bismuth (II)

…, J Busch, A Schnegg, AA Auer… - Journal of the …, 2022 - ACS Publications
The development of unconventional strategies for the activation of ammonia (NH 3 ) and
water (H 2 O) is of capital importance for the advancement of sustainable chemical strategies. …