Chemistry at Spin Centers, Universitat Bonn together with a grant of the German Science Foundation

Ganyushin, Dmitry, Gilka, Natalie, Taylor, Peter R., Marian, Christel M. and Neese, Frank (2010) The resolution of the identity approximation for calculations of spin-spin contribution to zero-field splitting parameters. Journal of Chemical Physics, Vol.132 (No.14). Article: 144111 . doi:10.1063/1.3367718

DIUE

Rios-Font, Raquel, Sodupe, Mariona, Rodriguez-Santiago, Luis and Taylor, Peter R. (2010) The role of exact exchange in the description of Cu2+-(H2O)(n) (n=1-6) complexes by means of DFT methods. Journal of Physical Chemistry A, Vol.114 (No.40). pp. 10857-10863. doi:10.1021/jp105376s

Deutsche Forschungsgemeinschaft (DFG)

Gilka, Natalie, Taylor, Peter R. (Peter Robert) and Marian, Christel M. (2008) Electron spin-spin coupling from multireference configuration interaction wave functions. Journal of Chemical Physics, Volume 129 (Number 4). Article No. 044102. doi:10.1063/1.2948402

Polly, Robert, Werner, Hans-Joachim, Dahle, Pål and Taylor, Peter R. (2006) Application of Gaussian-type geminals in local second-order Moller-Plesset perturbation theory. Journal of Chemical Physics, Vol.124 (No.23). Article: 234107. doi:10.1063/1.2202102

Deutscher Akademischer Austauschdienst (DAAD)

Gilka, Natalie, Solovej, Jan Philip and Taylor, Peter R. (Peter Robert) (2011) Behavior of the hartree-fock energy at short internuclear distances. International Journal of Quantum Chemistry, Vol.111 (No.13). pp. 3324-3328. doi:10.1002/qua.23043

EU RTN Network THEONET II

Polly, Robert, Werner, Hans-Joachim, Dahle, Pål and Taylor, Peter R. (2006) Application of Gaussian-type geminals in local second-order Moller-Plesset perturbation theory. Journal of Chemical Physics, Vol.124 (No.23). Article: 234107. doi:10.1063/1.2202102

MICINN

Rios-Font, Raquel, Sodupe, Mariona, Rodriguez-Santiago, Luis and Taylor, Peter R. (2010) The role of exact exchange in the description of Cu2+-(H2O)(n) (n=1-6) complexes by means of DFT methods. Journal of Physical Chemistry A, Vol.114 (No.40). pp. 10857-10863. doi:10.1021/jp105376s

Marie Curie Research Training Network

Gilka, Natalie, Taylor, Peter R. (Peter Robert) and Marian, Christel M. (2008) Electron spin-spin coupling from multireference configuration interaction wave functions. Journal of Chemical Physics, Volume 129 (Number 4). Article No. 044102. doi:10.1063/1.2948402

Marie Curie Research Training Network Nanoquant

Ganyushin, Dmitry, Gilka, Natalie, Taylor, Peter R., Marian, Christel M. and Neese, Frank (2010) The resolution of the identity approximation for calculations of spin-spin contribution to zero-field splitting parameters. Journal of Chemical Physics, Vol.132 (No.14). Article: 144111 . doi:10.1063/1.3367718

National Science Foundation

Glezakou, Vassiliki-Alexandra and Taylor, Peter R. (2009) On the electron affinity of B-2. European Journal of Mass Spectrometry, Vol.15 (No.2 Sp. Iss. SI). pp. 337-341. doi:10.1255/ejms.988

National Science Foundation (U.S.) (NSF)

Dahle, Pal, Helgaker, Trygve, Jonsson, Dan and Taylor, Peter R. (Peter Robert) (2008) Second-order Moller-Plesset calculations on the water molecule using Gaussian-type orbital and Gaussian-type geminal theory. Physical Chemistry Chemical Physics, Vol.10 (No.23). pp. 3377-3382. doi:10.1039/b803577f

Polly, Robert, Werner, Hans-Joachim, Dahle, Pål and Taylor, Peter R. (2006) Application of Gaussian-type geminals in local second-order Moller-Plesset perturbation theory. Journal of Chemical Physics, Vol.124 (No.23). Article: 234107. doi:10.1063/1.2202102

Norges forskningsråd [Norwegian Research Council]

Polly, Robert, Werner, Hans-Joachim, Dahle, Pål and Taylor, Peter R. (2006) Application of Gaussian-type geminals in local second-order Moller-Plesset perturbation theory. Journal of Chemical Physics, Vol.124 (No.23). Article: 234107. doi:10.1063/1.2202102

Norges forskningsråd [Norwegian Research Council]

Roos, Bjorn O., Veryazov, Valera, Conradie, Jeanet, Taylor, Peter R. (Peter Robert) and Ghosh, Abhik (2008) Not innocent : verdict from ab initio multiconfigurational second-order perturbation theory on the electronic structure of chloroiron corrole. The Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, Vol.112 (No.45). pp. 14099-14102. doi:10.1021/jp807734x

Dahle, Pal, Helgaker, Trygve, Jonsson, Dan and Taylor, Peter R. (Peter Robert) (2008) Second-order Moller-Plesset calculations on the water molecule using Gaussian-type orbital and Gaussian-type geminal theory. Physical Chemistry Chemical Physics, Vol.10 (No.23). pp. 3377-3382. doi:10.1039/b803577f

Royal Society (Great Britain)

Rios-Font, Raquel, Sodupe, Mariona, Rodriguez-Santiago, Luis and Taylor, Peter R. (2010) The role of exact exchange in the description of Cu2+-(H2O)(n) (n=1-6) complexes by means of DFT methods. Journal of Physical Chemistry A, Vol.114 (No.40). pp. 10857-10863. doi:10.1021/jp105376s

Ganyushin, Dmitry, Gilka, Natalie, Taylor, Peter R., Marian, Christel M. and Neese, Frank (2010) The resolution of the identity approximation for calculations of spin-spin contribution to zero-field splitting parameters. Journal of Chemical Physics, Vol.132 (No.14). Article: 144111 . doi:10.1063/1.3367718

Roos, Bjorn O., Veryazov, Valera, Conradie, Jeanet, Taylor, Peter R. (Peter Robert) and Ghosh, Abhik (2008) Not innocent : verdict from ab initio multiconfigurational second-order perturbation theory on the electronic structure of chloroiron corrole. The Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, Vol.112 (No.45). pp. 14099-14102. doi:10.1021/jp807734x

Gilka, Natalie, Taylor, Peter R. (Peter Robert) and Marian, Christel M. (2008) Electron spin-spin coupling from multireference configuration interaction wave functions. Journal of Chemical Physics, Volume 129 (Number 4). Article No. 044102. doi:10.1063/1.2948402

Dahle, Pal, Helgaker, Trygve, Jonsson, Dan and Taylor, Peter R. (Peter Robert) (2008) Second-order Moller-Plesset calculations on the water molecule using Gaussian-type orbital and Gaussian-type geminal theory. Physical Chemistry Chemical Physics, Vol.10 (No.23). pp. 3377-3382. doi:10.1039/b803577f

Stipend-Fonds trust of the Verband der Chemischen Industrie e. V

Ganyushin, Dmitry, Gilka, Natalie, Taylor, Peter R., Marian, Christel M. and Neese, Frank (2010) The resolution of the identity approximation for calculations of spin-spin contribution to zero-field splitting parameters. Journal of Chemical Physics, Vol.132 (No.14). Article: 144111 . doi:10.1063/1.3367718

Sweden. Vetenskapsrådet [Swedish Research Council]

Roos, Bjorn O., Veryazov, Valera, Conradie, Jeanet, Taylor, Peter R. (Peter Robert) and Ghosh, Abhik (2008) Not innocent : verdict from ab initio multiconfigurational second-order perturbation theory on the electronic structure of chloroiron corrole. The Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, Vol.112 (No.45). pp. 14099-14102. doi:10.1021/jp807734x

Swedish Foundation for International Cooperation in Research and Higher Education (STINT)

Dahle, Pal, Helgaker, Trygve, Jonsson, Dan and Taylor, Peter R. (Peter Robert) (2008) Second-order Moller-Plesset calculations on the water molecule using Gaussian-type orbital and Gaussian-type geminal theory. Physical Chemistry Chemical Physics, Vol.10 (No.23). pp. 3377-3382. doi:10.1039/b803577f

Verband der Chemischen Industrie (Germany)

Gilka, Natalie, Taylor, Peter R. (Peter Robert) and Marian, Christel M. (2008) Electron spin-spin coupling from multireference configuration interaction wave functions. Journal of Chemical Physics, Volume 129 (Number 4). Article No. 044102. doi:10.1063/1.2948402

Wolfson Foundation

Glezakou, Vassiliki-Alexandra and Taylor, Peter R. (2009) On the electron affinity of B-2. European Journal of Mass Spectrometry, Vol.15 (No.2 Sp. Iss. SI). pp. 337-341. doi:10.1255/ejms.988

Roos, Bjorn O., Veryazov, Valera, Conradie, Jeanet, Taylor, Peter R. (Peter Robert) and Ghosh, Abhik (2008) Not innocent : verdict from ab initio multiconfigurational second-order perturbation theory on the electronic structure of chloroiron corrole. The Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, Vol.112 (No.45). pp. 14099-14102. doi:10.1021/jp807734x

Wolfson Foundation through the Royal Society

Rios-Font, Raquel, Sodupe, Mariona, Rodriguez-Santiago, Luis and Taylor, Peter R. (2010) The role of exact exchange in the description of Cu2+-(H2O)(n) (n=1-6) complexes by means of DFT methods. Journal of Physical Chemistry A, Vol.114 (No.40). pp. 10857-10863. doi:10.1021/jp105376s

Ganyushin, Dmitry, Gilka, Natalie, Taylor, Peter R., Marian, Christel M. and Neese, Frank (2010) The resolution of the identity approximation for calculations of spin-spin contribution to zero-field splitting parameters. Journal of Chemical Physics, Vol.132 (No.14). Article: 144111 . doi:10.1063/1.3367718