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Ricardo A. Mata
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MOLPRO, version 2012.1, a Package of ab initio Programs, Cardiff, UK
HJ Werner, PJ Knowles, G Knizia, FR Manby, M Schütz, P Celani, ...
Accessed August 12, 2015, 2012
2913*2012
MOLPRO, version 2015.1, a package of ab initio programs. 2015; see http://www. molpro. net
HJ Werner, PJ Knowles, G Knizia, FR Manby, M Schütz, P Celani, ...
Google Scholar There is no corresponding record for this reference, 0
637*
High-accuracy computation of reaction barriers in enzymes
F Claeyssens, JN Harvey, FR Manby, RA Mata, AJ Mulholland, ...
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH- 45 (41), 6856, 2006
3392006
The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design
J Schrader, F Henneberg, RA Mata, K Tittmann, TR Schneider, H Stark, ...
Science 353 (6299), 594-598, 2016
2112016
MOLPRO, version 2012.1
HJ Werner, PJ Knowles, G Knizia, FR Manby, M Schütz, P Celani, ...
A package of ab initio programs, 2012
1672012
MOLPRO, version 2010.1
HJ Werner, PJ Knowles, G Knizia, FR Manby, M Schütz, P Celani, ...
A package of ab initio programs, 2010
1662010
MOLPRO, version 2010.1, a package of ab initio programs, 2010
HJ Werner, PJ Knowles, G Knizia, FR Manby, M Schütz, P Celani, ...
See http://www. molpro. net, 2010
1642010
Benchmarking quantum chemical methods: Are we heading in the right direction?
RA Mata, MA Suhm
Angewandte Chemie (International ed. in English) 56 (37), 11011, 2017
1492017
MOLPRO, version 2009.1, a package of ab initio programs
HJ Werner, PJ Knowles, R Lindh, FR Manby, M Schütz, P Celani, ...
See http://www. molpro. net, 2009
1382009
MOLPRO, version 2015.1, a package of ab initio programs, 2015
HJ Werner, PJ Knowles, G Knizia, FR Manby, M Schütz, P Celani, ...
See http://www. molpro. net, 2017
1372017
The last globally stable extended alkane
NOB Lüttschwager, TN Wassermann, RA Mata, MA Suhm
Angewandte Chemie International Edition 52 (1), 463-466, 2013
127*2013
MOLPRO, version 2008.1, a package of ab initio programs
HJ Werner, PJ Knowles, R Lindh, FR Manby, M Schütz, P Celani, ...
See http://www. molpro. net, 2008
1242008
Preparation of RSn (I)–Sn (I) R with two unsymmetrically coordinated Sn (I) atoms and subsequent gentle activation of P4
S Khan, R Michel, JM Dieterich, RA Mata, HW Roesky, JP Demers, ...
American Chemical Society, 2011
1122011
Manganese (I)‐Catalyzed Dispersion‐Enabled C− H/C− C Activation
TH Meyer, W Liu, M Feldt, A Wuttke, RA Mata, L Ackermann
Chemistry–A European Journal 23 (23), 5443-5447, 2017
1062017
Calculation of smooth potential energy surfaces using local electron correlation methods
RA Mata, HJ Werner
The Journal of chemical physics 125 (18), 2006
1042006
MOLPRO, version 2019.2, a package of ab initio programs
HJ Werner, PJ Knowles, G Knizia, FR Manby, M Schütz, P Celani, ...
Cardiff, UK, 2019
1032019
Toward accurate barriers for enzymatic reactions: QM/MM case study on p-hydroxybenzoate hydroxylase
RA Mata, HJ Werner, S Thiel, W Thiel
The Journal of chemical physics 128 (2), 2008
1002008
Correlation regions within a localized molecular orbital approach
RA Mata, HJ Werner, M Schütz
The Journal of chemical physics 128 (14), 2008
982008
Local correlation methods with a natural localized molecular orbital basis
RA Mata, HJ Werner
Molecular Physics 105 (19-22), 2753-2761, 2007
972007
Does DFT-D estimate accurate energies for the binding of ligands to metal complexes?
U Ryde, RA Mata, S Grimme
Dalton transactions 40 (42), 11176-11183, 2011
962011
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