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Publications of G. Rauhut

 

2017
[105]

Fast and reliable ab initio calculation of crystal field splittings in lanthanide complexes
P.P. Hallmen, C. Koppl, G. Rauhut, H. Stoll and J. van Slageren: J. Chem. Phys., 2017, 147, 164101.

[104]
[103]
T. Petrenko and G. Rauhut: J. Chem. Phys. 2017, 146, 124101.

2016

[102] Photolysis of carbonyl diisocyanate: generation of isocyanatocarbonyl nitrene and diazomethanone
Q. Liu, H. Li, Z. Wu, D. Li, H. Beckers, G. Rauhut, X. Zeng: Chem. Asian J. 2016, 11, 2953.
[101]
T. Gündemir-Durmaz, F. Schmid, Y. El Baz, A. Häusser, C. Schneider, U. Bilitewski, G. Rauhut, D. Garnier, A. Baro and S. Laschat: Org. Biomol. Chem., 2016, 14, 8261.
 
[100]
L. Ostrowski, B. Ziegler and G. Rauhut: J. Chem. Phys. 2016, 145, 104103.
[99]

Efficient generation of sum-of-products representations of high-dimensional potential energy surfaces based on multimode expansions
B. Ziegler and G. Rauhut: J. Chem. Phys. 2016, 144, 114114


2015

[98] Towards an automated and efficient calculation of resonating vibrational states based on state-averaged multiconfigurational approaches
P. Meier, D. Oschetzki, F. Pfeiffer and G. Rauhut: J. Chem. Phys. 2015, 143, 244111

[97] Time-independent eigenstate-free calculation of vibronic spectra beyond the harmonic approximation
T. Petrenko and G. Rauhut: J. Chem. Phys., 2015, 143, 234106

[96] Comparison of methods for calculating Franck–Condon factors beyond the harmonic approximation: how important are Duschinsky rotations?
P. Meier and G. Rauhut: Mol. Phys., 2015, 113, 23, 3859–3873

[95] Anharmonic Franck–Condon Factors for the X̃2B1 ← X̃1A1 Photoionization of Ketene
G. Rauhut: J. Phys. Chem. A 2015, 119, 10264-10271.

 [94]

 

2014  

 [93]
Vibrational Spectrum and Gas-Phase Structure of Disulfur Dinitride (S2N2)
A. Perrin, A.F. Antognini, XQ Zeng, H. Beckers, H. Willner and G. Rauhut: Chem. Eur. J. 2014, 20, 10323-10331

  [92]
  [91]  
 
Transformation of potential energy surfaces for estimating isotopic shifts in anharmonic vibrational frequency calculations
P. Meier, D. Oschetzki, R. Berger and G. Rauhut: J. Chem. Phys. 2014, 140, 184111
 
  [90]  
 
Multi-reference vibration correlation methods
F. Pfeiffer, and G. Rauhut: J. Chem. Phys. 2014, 140, 064110
  [89]  
 
Towards black-box calculations of tunneling splittings obtained from vibrational structure methods based on normal coordinates
M. Neff, and G. Rauhut: Spect. Chim. Acta A 2014, 119, 100
 


  2013  

  [88]  
 
Efficient calculation of multi-dimensional potential energy surfaces of molecules and molecular clusters
M. Neff, D. Oschetzki, Y. Yudin, Y. Dorozhko, N. Currle-Linde, M. Resch and G. Rauhut: Springer, High Performance Comp. in Science and Engineering 2013, 219-230
 
  [87]  
 
Modeling of high-order terms in potential energy surface expansions using the reference-geometry Harris-Foulkes method
P. Meier, G. Bellchambers, J. Klepp, F.R. Manby and G. Rauhut: Phys. Chem. Chem. Phys. 2013, 15, 10233
 
  [86]  
 
Azidoacetylene - interpretation of gas phase infrared spectra based on high-level vibrational configuration interaction calculations
D. Oschetzki, X.Q. Zeng, H. Beckers, K. Banert and G. Rauhut: Phys. Chem. Chem. Phys. 2013 15, 6719
 
  [85]  
 
Hydrogen storage by physisorption on dodecahydro-closo-dodecaboranes
L. Dienberg, J. Haug, G. Rauhut and E. Roduner: Phys. Chem. Chem. Phys. 2013, 15, 5836
 
  [84]  
 
Anharmonic zero point vibrational energies: Tipping the scales in accurate thermochemistry calculations?
F. Pfeiffer, G. Rauhut, D. Feller and K. A. Peterson: J. Chem. Phys. 2013, 138, 044311
 


2012  

  [83]  
 
Selected Aspects Concerning the Efficient Calculation of Vibrational Spectra beyond the Harmonic Approximation
D. Oschetzki, M. Neff, P. Meier, F. Pfeiffer and G. Rauhut: Croat. Chem. Acta 2012, 85, 379
 
  [82]  
 
Cooperative Al(Salen)-Pyridinium Catalysts for the Asymmetric Synthesis of trans-Configured beta-Lactones by [2+2]-Cyclocondensation of Acylbromides and Aldehydes: Investigation of Pyridinium Substituent Effects
P. Meier, F. Broghammer, K. Latendorf, G. Rauhut and R. Peters: Molecules 2012, 17, 7121.
 
  [81]  
 
Experimental and Theoretical Studies on the Synthesis, Spectroscopic Data, and Reactions of Formyl Azide
K. Banert, C. Berndt, M. Hagedorn, H. Liu, T. Anacker, J. Friedrich and G. Rauhut: Angew. Chem. Int. Ed. 2012, 51, 4718.
 


  2011  

  [80]  
 
Anharmonic Frequencies of CX2Y2 (X,Y=O,N,F,H,D) Isomers and Related Systems obtained from Vibrational Multiconfiguration Self-Consistent Field Theory
F. Pfeiffer and G. Rauhut: J. Phys. Chem. A 2011, 115, 11050.
 
  [79]  
 
Anharmonic frequencies of [F,C,N,X] isomers (X = O,S) obtained from explicitly correlated coupled-cluster calculations
V.-M. Rodriguez-Betancourtt, V.-M. Quezada-Navarro, M. Neff and G. Rauhut: Chem. Phys. 2011, 387,1.
 
  [78]  
 
Chemoenzymatic Synthesis of the C3-C11-Fragment of Borrelidin
M. Theurer, Y.El Baz, K. Koschorreck, V.B. Urlacher, G. Rauhut, A. Baro and S. Laschat: Eur. J. Org. Chem. 2011, 22, 4241.
 
  [77]  
 
Configuration selection within vibrational multiconfiguration self-consistent field theory: Application to bridged lithium compounds
S. Heislbetz, F. Pfeiffer and G. Rauhut J. Chem. Phys. 2011, 134, 204108.
 
  [76]  
 
Explicitly correlated coupled cluster calculations for the propargyl cation (H2C3H+) and related species
P. Botschwina, R. Oswald and G. Rauhut: Phys. Chem. Chem. Phys. 2011, 13, 7921.
 
  [75]  
 
Towards automated multi-dimensional quantum dynamical investigations of double-minimum potentials: Principles and example applications
J. Sielk, H.F. von Horsten, B. Hartke and G. Rauhut: Chem. Phys. 2011, 380, 1.
 
  [74]  
 
Convergence of vibrational angular momentum terms within the Watson Hamiltonian
M. Neff, T. Hrenar, D. Oschetzki, G. Rauhut: J. Chem. Phys. 2011, 134, 064105.
 
  [73]  
 
Accurate Vibrational Frequencies of Borane and Its Isotopologues
P. Meier, M. Neff, G. Rauhut: J. Chem. Theory Comput. 2011, 7, 148.
 


2010  

  [72]  
 
Simultaneous adsorption of benzene and dioxygen in CuHY zeolites as a precursor process to the aerobic oxidation of benzene to phenol
S. Santra, H. Stoll, G. Rauhut: Phys. Chem. Chem. Phys. 2010, 12, 6345.
 
  [71]  
 
Vibrational multiconfiguration self-consistent field theory: Implementation and test calculations
S. Heislbetz, G. Rauhut: J. Chem. Phys. 2010, 132, 124102.
 
  [70]  
 
Franck-Condon profiles in photodetachment-photoelectron spectra of HS2- and DS2- based on vibrational configuration interaction wavefunctions
J. Huh, M. Neff, G. Rauhut, R. Berger: Mol. Phys. 2010, 108, 409.
 
  [69]  
 
A Special Issue in Honour of Professor Hans-Joachim Werner
P. Knowles, G. Rauhut, H. Stoll: Mol. Phys. 2010, 108, 221.
 
  [68]  
 
Relativistic coupled-cluster study of the parity-violation energy shift of CHFClBr
C. Thierfelder, G. Rauhut, P. Schwerdtfeger: Phys. Rev. A 2010, 81, 032513.
 
  [67]  
 
Vibrational dynamics of a trinuclear oxo-bridged iron complex as studied by nuclear inelastic scattering, Mossbauer spectroscopy and DFT calculations
S. Rajagopalan, T. Asthalter, V. Rabe, S. Laschat, G. Rauhut, E. Roduner: J. Phys.: Conf.Ser. 2010, 217, 012030.
 


  2009  

  [66]  
 
Toward large scale vibrational configuration interaction calculations
M. Neff, G. Rauhut: J. Chem. Phys. 2009, 131, 124129.
 
  [65]  
 
Accurate calculation of vibrational frequencies using explicitly correlated coupled-cluster theory
G. Rauhut, G.Knizia, H.J. Werner: J. Chem. Phys. 2009, 130, 054105.
 
  [64]  
 
Adsorption of Benzene to Copper in CuHY Zeolite
T. Archipov, S. Santra, A.B. Ene, H. Stoll, G. Rauhut, E. Roduner: J. Chem. Phys. 2009, 113, 4107.
 
  [63]  
 
Adsorption of Dioxygen to Copper in CuHY Zeolite
S. Santra, T. Archipov, A.B. Ene, H. Komnik, H. Stoll, E. Roduner, G. Rauhut: Phys. Chem. Chem. Phys. 2009, 11, 8855.
 
  [62]  
 
Theoretical investigation of the water/corundum (0001) interface
R. Polly, B. Schimmelpfennig, M. Floersheimer, K. Kruse, A. AbdElMonem, R. Klenze, G. Rauhut, T. Fanghaenel: J. Chem. Phys. 2009, 130, 064702.
 
  [61]  
 
Modeling of high-order many-mode terms in the expansion of multidimensional potential energy surfaces: Application to vibrational spectra
G. Rauhut, B. Hartke: J. Chem. Phys. 2009, 131, 014108.
 


2008  

  [60]  
 
A combined variational and perturbational study on the vibrational spectrum of P2F4
G. Rauhut, T.Hrenar: Chem. Phys. 2008, 346, 012029.
 


  2007  

  [59]  
 
Configuration Selection As a Route Towards Efficient Vibrational Configuration Interaction Calculations
G. Rauhut: J. Chem. Phys. 2007, 127, 184109.
 
  [58]  
 
Vibrational Spectra Obtained from High Quality Potential Energy Surfaces Spanned by Low Level Normal Coordinates: Application to CHFClI and CDFClI
S. Heislbetz, P. Schwerdtfeger, G. Rauhut: Mol. Phys. 2007, 105, 1385.
 
  [57]  
 
Accurate Calculation of Anharmonic Vibrational Frequencies of Medium Sized Molecules Using Local Coupled Cluster Methods
T. Hrenar, H.-J. Werner, G. Rauhut: J. Chem. Phys. 2007, 126, 134108.
 


  2006  

  [56]  
 
Fingerprints of Delocalized Transition States in Quantum Dynamics
H.F. v.Horsten, G. Rauhut, B. Hartke: J. Phys. Chem. A 2006, 110, 13014.
 
  [55]  
 
Vibrational Analyses of CHFClBr and CDFClBr Based on High Level Ab Initio Calculations
G. Rauhut, V. Barone, P. Schwerdtfeger: J. Chem. Phys. 2006, 125, 054308.
 
  [54]  
 
Double-Proton Transfer Reaction with Plateau-Like Transition State Regions: Pyrazole - Trifluoroacetic Acid Clusters
S. Schweiger, G. Rauhut: J. Phys. Chem. A 2006, 110, 2816.
 
  [53]  
 
Impact of Local and Density Fitting Approximations on Harmonic Vibrational Frequencies
T. Hrenar, G. Rauhut, H.-J. Werner; J. Phys. Chem. A 2006, 110, 2060.
 


  2005  

  [52]  
 
Multi-Level Vibrational SCF Calculations and FTIR Measurements on Furazan
K. Pflüger, M. Paulus, S. Jagiella, T. Burkert, G. Rauhut; Theor. Chem. Acc. 2005, 114, 327.
 
  [51]  
 
Towards Accurate Ab Initio Calculations on the Vibrational Modes of the Alkaline Earth Metal Hydrides
T. Hrenar, H.-J. Werner, G. Rauhut; Phys. Chem. Chem. Phys. 2005, 7, 3123.
 
  [50]  
 
Double Proton Transfer Reactions at the Transition from a Concerted to a Stepwise Mechanism - a Comparative Ab Initio Study
S. Schweiger, B. Hartke, G. Rauhut; Phys. Chem. Chem. Phys. 2005, 7, 493.
 
  [49]  
 
Energy-consistent pseudopotentials for group 11 and 12 atoms: adjustment to multi-configuration Dirac-Hartree-Fock data
D. Figgen, G. Rauhut, M. Dolg, H. Stoll; Chem. Phys. 2005, 311, 227.
 
  [48]  
 
Potential Energy Surfaces of Unusual Double Proton Transfer Reactions
G. Rauhut, S. Schweiger; in High Performance Computing in Science and Engineering '04, E. Krause, W. Jäger, M. Resch (Eds.), Springer, Heidelberg, 2005, p. 323.
 


  2004  

  [47]  
 
Efficient calculation of potential energy surfaces for the generation of vibrational wave functions
G. Rauhut; J. Chem. Phys. 2004, 121, 9313.
 
  [46]  
 
Analysis and dynamics of unusual double proton transfer reactions based on the reaction path hamiltonian  
S. Schweiger, B. Hartke, G. Rauhut; Phys. Chem. Chem. Phys. 2004, 6, 3341.
 
  [45]  
 
Trendbericht Theoretische Chemie 2003: Theoretische Organische Chemie
G. Rauhut; Nachrichten aus der Chemie 2004, 52, 315.
 


  2003  

  [44]  
 
Plateau-reactions: double proton transfer processes with structureless transition states
S. Schweiger, G. Rauhut; J. Phys. Chem. A 2003, 107, 9668.
 
  [43]  
 
Ethyne adsorbed on CuNaY zeolite: FTIR spectra and quantum chemical calculations
G. Hübner, G. Rauhut, H. Stoll, E. Roduner; J. Phys. Chem. B 2003, 107, 8568.
 
  [42]  
 
First identification of an aliphatic cis-α,β-dinitroso compound: a combined experimental and quantum chemical study
H.J. Himmel, S. Konrad, W. Friedrichsen, G. Rauhut; J. Phys. Chem. A 2003, 107, 6731.
 
  [41]  
 
Chemical reactivity controlled by negative hyperconjugation: a theoretical study
S.O. Nilsson-Lill, G. Rauhut, E. Anders; Chem. Eur. J. 2003, 9, 3143.
 
  [40]  
 
The vibrational spectra of furoxan and dichlorofuroxan: a comparative theoretical study using density functional theory and local electron correlation methods
G. Rauhut, H.-J. Werner; Phys. Chem. Chem. Phys. 2003, 5, 2001.
 
  [39]  
 
Modulation of reaction barriers by generating reactive intermediates: double proton transfer reactions
G. Rauhut; Phys. Chem. Chem. Phys. 2003, 5, 791.
 


  2002  

  [38]  
 
Vibronic spin-orbit coupling in 1,3,6,8-tetrachlorodibenzo-p-dioxin
E.A. Gastilovich, S.A. Serov, N.V. Korol'kova, V.G. Klimenko, G. Rauhut; Optics and Spectroscopy 2002, 92, 524.
 
  [37]  
 
Your Web browser as a computational chemistry frontend
G. Rauhut; Angew. Chem., Int. Ed. 2002, 41, 2205.
 
  [36]  
 
FTIR measurements and quantum chemical calculations of ethylene adsorbed on CuNaY
G. Hübner, G. Rauhut, H. Stoll, E. Roduner; Phys. Chem. Chem. Phys. 2002, 4, 3112.
 
  [35]  
 
Transferable scaling factors for vibrational force fields of halogenated molecules based on energy-consistent pseudopotentials
D. Figgen, B. Metz, H. Stoll, G. Rauhut; J. Phys. Chem. A 2002, 106, 6810.
 
  [34]  
 
A comparison of metallophilic attraction in (X-M-PH3)2 (M=Cu, Ag, Au; X=H, Cl)
L. Magnko, M. Schweizer, G. Rauhut, M. Schütz, H. Stoll, H.-J. Werner; Phys. Chem. Chem. Phys. 2002, 4, 1006.
 
  [33]  
 
Computational Studies on 3-Aza-Cope Rearrangements: Protonation-Induced Switch of Mechanism in the Reaction of Vinylpropargylamine
R.F. Winter, G. Rauhut; Chem. Eur. J. 2002, 8, 641.
 


  2001  

  [32]  
 
Recent Advances in Computing Heteroatom-Rich Five- and Six-Membered Ringsystems
G. Rauhut; Adv. Heterocycl. Chem. 2001, 81, 1.

 

  [31]  
 
Analytical Energy Gradients for Local Coupled-Cluster Methods
G. Rauhut, H.-J. Werner; Phys. Chem. Chem. Phys. 2001, 3, 4853.
 
  [30]  
 
Theoretical Prediction of a Base-Catalyzed Bicyclic Boulton-Katritzky Rearrangement
G. Rauhut; J. Org. Chem. 2001, 66, 5444.
 
  [29]  
 
Toward an Understanding of the Furoxan - Dinitrosoethylene Equilibrium
J. Stevens, M. Schweizer, G. Rauhut; J. Am. Chem. Soc. 2001, 123, 7326.
 
  [28]  
 
Excited Electronic States and Effect of Vibronic-Spin-Orbit Coupling on the Radiative Deactivation of the Lowest Triplet States of Dioxins
E.A. Gastilovich, V.G. Klimenko, N.V. Korolkova, G. Rauhut; Chem. Phys. 2001, 270, 41.
 


  2000  

  [27]  
 
Quantenchemische Berechnungen molekularer Schwingungsspektren: Methoden und Anwendungen
G. Rauhut; Habilitationsschrift Universitätsbibliothek Stuttgart, Stuttgart, 2000.
 
  [26]  
 
Quantum Chemical Studies on Heterocyclic Rearrangements in Benzofuroxans: Reaction Paths, Vibrational Spectra, and Rate Constants
G. Rauhut, F. Eckert; in High Performance Computing in Science and Engineering '99, E. Krause, W. Jäger (Eds.), Springer, Heidelberg, 2000, p. 183.
 


  1999  

  [25]  
 
A Computational Study on the Mechanism and Kinetics of the Pyrolysis of 2-Nitrophenyl Azide.
G. Rauhut, F. Eckert; J. Phys. Chem. A 1999, 103, 9086.
 
  [24]  
 
Quantum Chemical Studies on the Reactivity of Electron-Rich Heterocycles: Benzofuroxans
G. Rauhut, F. Eckert; Science Progress 1999, 82, 209.
 
  [23]  
 
A Theoretical and Experimental Study of the Molecular Rearrangement of 5-Methyl-4-nitrobenzofuroxan.
F. Eckert, G. Rauhut, A.R. Katritzky, P.J. Steel; J. Am. Chem. Soc. 1999, 121, 6700.
 
  [22]  
 
Impact of Local Approximations on MP2 Vibrational Frequencies.
G. Rauhut, A. El Azhary, F. Eckert, U. Schumann, H.-J. Werner; Spectrochimica Acta A 1999, 55, 647.
 


  1998  

  [21]  
 
A Computational Study on the Reaction Mechanism of the Boulton-Katritzky Rearrangement.
F. Eckert, G. Rauhut; J. Am. Chem. Soc. 1998, 120, 13478.
 
  [20]  
 
Local Treatment of Electron Correlation in Molecular Clusters: Structures and Stabilities of (H2O)n,n=2-4.
M. Schütz, G. Rauhut, H.-J. Werner; J. Phys. Chem. A 1998, 102, 5997.
 
  [19]  
 
Analytical Energy Gradients for Local Second-Order Moller-Plesset Perturbation Theory.
A. El Azhary, G. Rauhut, P. Pulay, H.-J. Werner; J. Chem. Phys 1998, 108, 5185.
 
  [18]  
 
Integral Transformation with Low-Order Scaling for Large Local Second-Order Moller-Plesset Calculations.
G. Rauhut, P. Pulay, H.-J. Werner; J. Comput. Chem. 1998, 19, 1241.
 


  1997  

  [17]  
 
A Density Functional Based Vibrational Study of Conformational Isomers: The Molecular Rearrangement of Benzofuroxan.
G. Rauhut, A. Jarzecki, P. Pulay; J. Comput. Chem. 1997, 18, 489.
 


  1996  

  [16]  
 
A Combined Ab Initio and Density Functional Study of the Ring Chain Tautomerism in Benzofurazan-1-oxide
G. Rauhut; J. Comput. Chem. 1996, 17, 1848.
 
  [15]  
 
Comparison of NMR Chemical Shieldings Calculated from Hartree-Fock and Density Functional Wavefunctions Using Gauge-Including Atomic Orbitals
G. Rauhut, S. Puyear, K. Wolinski, P. Pulay; J. Phys. Chem. 1996, 100, 6310.
 
  [14]  
 
Considerations Regarding the Local Treatment of Laplace Transform MPPT
G. Rauhut, P. Pulay; Chem. Phys. Lett. 1996, 248, 223.
 


  1995  

  [9b]  
 
Erratum to: Transferable Scaling Factors for Density Functional Derived Vibrational Force Fields
G. Rauhut, P. Pulay; J. Phys. Chem. 1995, 99, 14572.
 
  [13]  
 
Symmetry Breaking, Structure and Definite Vibrational Assignment for Azulene. Multiconfigurational and Density Functional Results.
P.M. Kozlowski, G. Rauhut, P. Pulay; J. Chem. Phys. 1995, 103, 5650.
 
  [12]  
 
Modeling Localized Electron Pair Correlation Energies
G. Rauhut, J.W. Boughton, P. Pulay; J. Chem. Phys. 1995, 103, 5662.
 
  [11]  
 
A Combined Semiempirical MO/Neural Net Technique for Estimating 13C Chemical Shifts
T. Clark, G. Rauhut, A. Breindl; J. Mol. Mod. 1995, 1, 22.
 
  [10]  
 
Identification of Isomers from Calculated Vibrational Spectra. A Density Functional Study of Tetrachlorinated Dibenzodioxins
G. Rauhut, P. Pulay; J. Am. Chem. Soc. 1995, 117, 4167.
 
  [9]
 
Transferable Scaling Factors for Density Functional Derived Vibrational Force Fields
G. Rauhut, P. Pulay; J. Phys. Chem. 1995, 99, 3093.
 
  [8]  
 
Experimental and Theoretical Estimations of the Solvent Independence of the Electronic Coupling Matrix Element for an Organic Homogeneous Electron Self-Exchange Reaction
G. Grampp, G. Rauhut; J. Phys. Chem. 1995, 99, 1815.
 


  1994  

  [7]  
 
The Natural Atomic Orbital Point Charge Model for PM3: Multipole Moments and Molecular Electrostatic Potentials
B. Beck, G. Rauhut, T. Clark; J. Comput. Chem. 1994, 15, 1064.
 
  [6]  
 
Molecular Orbital Studies of Electron-Transfer Reactions
G. Rauhut, T. Clark; J. Chem. Soc. Faraday Trans. 1994, 90, 1783.
 

 


  1993  

  [5]  
 
High-Quality Molecular Electrostatic Potentials from AM1 Calculations
G. Rauhut, T. Clark; J. Mol. Graphics 1993, 11, 64.
 
  [4]  
 
Umgebungssimulationen in quantenchemischen Rechenverfahren und deren Anwendungen in der organischen Chemie. G. Rauhut; Dissertation, Universität Erlangen-Nürnberg, 1993.
 
  [3]  
 
A Numerical Self-Consistent Reaction Field (SCRF) Model for Ground and Excited States in NDDO-Based Methods
G. Rauhut, T. Clark, T. Steinke; J. Am. Chem. Soc. 1993, 115, 9174.
 
  [2]  
 
Electron-Transfer Reactions: AM1 and ab initio Studies on Self-Exchange in p-Diaminobenzene Systems
G. Rauhut, T. Clark; J. Am. Chem. Soc. 1993, 115, 9127.
 
  [1]  
A Multicenter Point Charge Model for High-Quality Molecular Electrostatic Potentials from AM1 Calculations
G. Rauhut, T. Clark; J. Comput. Chem. 1993, 14, 503.