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Alexander A Auer

Showing results (1-10 of 72) with videos related to

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The Journal of Chemical Physics|July 17, 2009
Quantitative prediction of gas-phase 17O nuclear magnetic shielding constantsAlexander A Auer
The Journal of Chemical Physics|July 20, 2006
Dynamically screened local correlation method using enveloping localized orbitalsAlexander A Auer, Marcel Nooijen
The Journal of Chemical Physics|February 16, 2010
Quantitative prediction of gas-phase (15)N and (31)P nuclear magnetic shielding constantsEric Prochnow, Alexander A Auer
Beilstein Journal of Nanotechnology|July 4, 2014
Constant chemical potential approach for quantum chemical calculations in electrocatalysisWolfgang B Schneider, Alexander A Auer
The Journal of Physical Chemistry. A|February 3, 2025
Toward Explicit Solvation for Simulations of Electrocatalytic Reactions: AIMD for p<i>K</i><sub>a</sub> and Redox Potentials of Transition Metal Compounds and Catalyst ModelsGustavo T Feliciano, Alexander A Auer
The Journal of Chemical Physics|August 22, 2008
Optimization of augmentation functions for correlated calculations of spin-spin coupling constants and related propertiesUdo Benedikt, Alexander A Auer, Frank Jensen
The Journal of Physical Chemistry. A|September 14, 2007
Ab initio study of molecular properties and decomposition products of 1-azidoalkynes-a challenge for experimentalistsEric Prochnow, Alexander A Auer, Klaus Banert
Chemistry (Weinheim an Der Bergstrasse, Germany)|November 4, 2016
Understanding the Role of Dispersion in Frustrated Lewis Pairs and Classical Lewis Adducts: A Domain-Based Local Pair Natural Orbital Coupled Cluster StudyGiovanni Bistoni, Alexander A Auer, Frank Neese
Journal of Computational Chemistry|March 23, 2002
Software news and updates. Basis-set completeness profiles in two dimensionsAlexander A Auer, Trygve Helgaker, Wim Klopper
Chemistry (Weinheim an Der Bergstrasse, Germany)|April 21, 2011
Viability of 4,5-dihydro-1,2,3,4-oxatriazoles reinvestigatedSamia Firdous, Klaus Banert, Alexander A Auer
Pageof 8

Showing results (1-10 of 72) with videos related to

Sort By:
Pageof 8
The Journal of Chemical Physics|July 17, 2009
Quantitative prediction of gas-phase 17O nuclear magnetic shielding constantsAlexander A Auer
The Journal of Chemical Physics|July 20, 2006
Dynamically screened local correlation method using enveloping localized orbitalsAlexander A Auer, Marcel Nooijen
The Journal of Chemical Physics|February 16, 2010
Quantitative prediction of gas-phase (15)N and (31)P nuclear magnetic shielding constantsEric Prochnow, Alexander A Auer
Beilstein Journal of Nanotechnology|July 4, 2014
Constant chemical potential approach for quantum chemical calculations in electrocatalysisWolfgang B Schneider, Alexander A Auer
The Journal of Physical Chemistry. A|February 3, 2025
Toward Explicit Solvation for Simulations of Electrocatalytic Reactions: AIMD for p<i>K</i><sub>a</sub> and Redox Potentials of Transition Metal Compounds and Catalyst ModelsGustavo T Feliciano, Alexander A Auer
The Journal of Chemical Physics|August 22, 2008
Optimization of augmentation functions for correlated calculations of spin-spin coupling constants and related propertiesUdo Benedikt, Alexander A Auer, Frank Jensen
The Journal of Physical Chemistry. A|September 14, 2007
Ab initio study of molecular properties and decomposition products of 1-azidoalkynes-a challenge for experimentalistsEric Prochnow, Alexander A Auer, Klaus Banert
Chemistry (Weinheim an Der Bergstrasse, Germany)|November 4, 2016
Understanding the Role of Dispersion in Frustrated Lewis Pairs and Classical Lewis Adducts: A Domain-Based Local Pair Natural Orbital Coupled Cluster StudyGiovanni Bistoni, Alexander A Auer, Frank Neese
Journal of Computational Chemistry|March 23, 2002
Software news and updates. Basis-set completeness profiles in two dimensionsAlexander A Auer, Trygve Helgaker, Wim Klopper
Chemistry (Weinheim an Der Bergstrasse, Germany)|April 21, 2011
Viability of 4,5-dihydro-1,2,3,4-oxatriazoles reinvestigatedSamia Firdous, Klaus Banert, Alexander A Auer
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