CRS4

Publications de Hofmann au CRS4


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75 publications Download the selection

Publications en 2024
Peer-reviewed publications in International Journals
[2-HHK24] [Add to your selection]
The seventh blind test of crystal structure prediction: structure generation methods
L.M. Hunnisett, Detlef W.M. Hofmann, Liudmila Kuleshova, Luca Pilia, et al.
Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials International Union of Crystallography vol. 80 - 2024  doi: 10.1107/S2052520624007492
 
Publications en 2023
Peer-reviewed publications in International Journals
[2-HK23] [Add to your selection]
A general force field by machine learning on experimental crystal structures. Calculations of intermolecular Gibbs energy with FlexCryst
Detlef W.M. Hofmann, Liudmila Kuleshova
Acta Crystallographica Section A International Union of Crystallography pages 132-144 vol. A79 - 2023
issn: 2053-2733  doi: 10.1107/S2053273323000268
 
Publications en 2022
Books and Book Chapters
[1-HK22] [Add to your selection]
Data mining. I. Machine learning in crystallography
Detlef W.M. Hofmann, Liudmila Kuleshova
International Tables for Crystallography (2021). Vol. C, International Union of Crystallography - 2022
 
Publications en 2021
Peer-reviewed publications in International Journals
[2-HK21] [Add to your selection]
Lattice Energies of all known Crystal Structures
Detlef W.M. Hofmann, Liudmila Kuleshova
Zeitschrift fuer Kristallographie Walter de Gruyter GmbH, Berlin/Boston pages 50 vol. 41 - 2021
issn: 0930-486X
isbn: 978-3-11-074007-3
Peer-reviewed publications in international events
[4-HOF21] [Add to your selection]
Derivation of a universal Force Field for Organic and Organometallics by Data Mining on all known Crystal Structures, its Validation and some Applications.
Detlef W.M. Hofmann
ACS Spring 2021 American Chemical Society (ACS) - 2021
[4-HK21] [Add to your selection]
Machine Learning on Experimental Crystal Structures to parameterize Models of the Gibbs Energy in Computational Crystallography
Detlef W.M. Hofmann, Liudmila Kuleshova
Twenty-Fifth Congress and General Assembly of the International Union of Crystallography International Union of Crystallography - 2021
 
Publications en 2020
Books and Book Chapters
[1-HK20] [Add to your selection]
International Tables for Crystallography, Volume C: Mathematical, physical and chemical tables
Detlef W.M. Hofmann, Liudmila Kuleshova
Wiley, chap. data mining and machine learning in crystallography., pages accepted International Tables for Crystallography - 2020
Peer-reviewed publications in International Journals
[2-PSD20] [Add to your selection]
Effect of Flourination on the Crystal and Electronic Structure of Organometallic Cyclopentadienyl-Phenyldiamino-Cobalt Complexes
Luca Pilia, Yoshiaki Shuku, Simon Dalgleish, Detlef W.M. Hofmann, Nicola Melis, Kunio Awaga, Neil Robertson
Journal of Crystal Growth & Design - 2020  doi: 0.1016/j.jorganchem.2020.121277
[2-HK20] [Add to your selection]
Crystal Structure Engineering with FlexCryst by Visualization of the Intermolecular Interactions
Detlef W.M. Hofmann, Liudmila Kuleshova
Zeitschrift fuer Kristallographie vol. 40, Supplement - 2020
Peer-reviewed publications in international events
[4-HK20] [Add to your selection]
Crystal Structure Engineering with FlexCryst by Visualization of the Intermolecular Interactions
Detlef W.M. Hofmann, Liudmila Kuleshova
Annual Meeting of the German Crystallographic Society (DGK) De Gruyter - 2020  doi: doi.org/10.1515/9783110740172
 
Publications en 2019
Peer-reviewed publications in international events
[4-KH19] [Add to your selection]
Data Mining Force Field: Crystal Properties Estimation and Screening for Polymorphs, Cocrystals and Salts
Liudmila Kuleshova, Detlef W.M. Hofmann
DGK 27th Annual Meeting of the German Crystallographic Society - 2019
[4-HOF19] [Add to your selection]
Prediction of Phase Transitions by Data Mining via temperature-dependent Force Field
Detlef W.M. Hofmann
DGK 27th Annual Meeting of the German Crystallographic Society - march 2019
Various talks, works and publications
[6-HOF19] [Add to your selection]
Molecular Modeling with FlexCryst
Detlef W.M. Hofmann
- 2019
 
Publications en 2018
Peer-reviewed publications in International Journals
[2-FHM18] [Add to your selection]
Controlled usage of H/D-exchange to circumvent concomitant polymorphs of ROY
Jacqueline Falk, Detlef W.M. Hofmann, Klaus Merz
IUCrJ - 2018
issn: 2052-2525  doi: 10.1107/S20522525
[2-HK18] [Add to your selection]
Phase diagram prediction by data mining via temperature-dependent force fields
Detlef W.M. Hofmann, Liudmila Kuleshova
Acta Crystallographica Section A International Union of Crystallography pages E120--E121 vol. 74 - 2018
[2-HK18] [Add to your selection]
Empirical Temperature-dependent Intermolecular Potentials Determined by Data Mining from Crystal Data
Detlef W.M. Hofmann, Liudmila Kuleshova
Chemical Physics Letters Elsvier pages 115--224 vol. 699 - may 2018  doi: 10.1016/j.cplett.2018.03.053
Peer-reviewed publications in international events
[4-HK18] [Add to your selection]
Phase Diagram Prediction by Data Mining via temperature-dependent Force Fields
Detlef W.M. Hofmann, Liudmila Kuleshova
31th European Crystallographic Meeting - 2018
 
Publications en 2017
Peer-reviewed publications in International Journals
[2-EMH17] [Add to your selection]
Deuterium shifts the equilibrium: How heavy water can influence organic multicomponent crystal formation
Dennis Enkelmann, Klaus Merz, Detlef W.M. Hofmann
Crystal Growth & Design American Chemical Society - july 2017  doi: 10.1021/acs.cgd.7b00654
Peer-reviewed publications in international events
[4-HOF17] [Add to your selection]
From Crystals by Data Mining to Molecular Modeling
Detlef W.M. Hofmann
53rd Symposium on Theoretical Chemistry 2017: Arbeitsgemeinschaft Theoretische Chemie (AGTC) - august 2017
[4-KH17] [Add to your selection]
Virtual Cocrystals screening with Data Mining Force Field
Liudmila Kuleshova, Detlef W.M. Hofmann
53rd Symposium on Theoretical Chemistry 2017: Arbeitsgemeinschaft Theoretische Chemie (AGTC) - august 2017
 
Publications en 2016
Peer-reviewed publications in International Journals
[2-RCA16] [Add to your selection]
Report on the Sixth Blind Test of Organic Crystal-Structure Prediction Methods
Anthony M. Reilly, Richard I. Cooper, Claire S. Adjiman, Detlef W.M. Hofmann, Liudmila Kuleshova, ...
Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials International Union of Crystallography pages 439--459 vol. 72 num. 4 - 2016  doi: 10.1107/S2052520616007447
[2-VHM16] [Add to your selection]
Crystal Structures of 2-Chloropyridine and 2-Fluoropyridine: Isostructural crystal packing or not?
Vera Vasylyeva, Detlef W.M. Hofmann, Klaus Merz
Structural Chemistry Springer pages 331-339 vol. 27 num. 1 - february 2016
issn: 1040-0400  doi: 10.1007/s11224-015-0603-y
Peer-reviewed publications in international events
[4-HOF16] [Add to your selection]
Prediction of Metal Coordination by Data Mining of experimental Crystal Structures [Download PDF version]
Detlef W.M. Hofmann
24th Annual Meeting of the German Crystallographic Society (DGK) German Crystallographic Society - march 2016
 
Publications en 2015
Peer-reviewed publications in International Journals
[2- JK15] [Add to your selection]
Cocrystals of Pentoxifylline: in silico and experimental screening
Dmitrijs Stepanovs, Mara Jure, Liudmila Kuleshova, Detlef W.M. Hofmann, Anatolij Mishnev
Crystal Growth & Design American Chemical Society pages 3652--3660 vol. 15 num. 8 - june 2015  doi: 10.1021/acs.cgd.5b00185
Peer-reviewed publications in international events
[4-HOF15] [Add to your selection]
Extension of empirical force fields to extreme conditions
Detlef W.M. Hofmann
23rd Annual Conference of the German Crystallographic Society (DGK) Arbeitsgemeinschaft Theoretische Chemie (AGTC) - 2015
[4-KH15] [Add to your selection]
Driving forces of co-crystallization – “in silico” vs experimental screening
Liudmila Kuleshova, Detlef W.M. Hofmann
23rd Annual Conference of the German Crystallographic Society (DGK) - 2015
[4-HOF15] [Add to your selection]
Data Mining in Chemistry exemplified for Deuterated Compounds
Detlef W.M. Hofmann
Theobio2015, 7th International Theoretical Biophysics Symposium, Cagliari, June 8-12 - 2015
[4-KH15] [Add to your selection]
Driving forces of co-crystallization: “in silico” vs experimental screening
Liudmila Kuleshova, Detlef W.M. Hofmann
Theobio2015, 7th International Theoretical Biophysics Symposium, Cagliari, June 8-12 - 2015
[4-HKB15] [Add to your selection]
6th Blind Test of Crystal Structure Prediction
Detlef W.M. Hofmann, Liudmila Kuleshova, Adrian D. Boese
Crystallographic Data Centre of Cambridge - november 2015
 
Publications en 2014
Peer-reviewed publications in International Journals
[2-HK14] [Add to your selection]
Are crystal phase diagrams predictable with Force Field? Case of Benzene polymorphs
Detlef W.M. Hofmann, Liudmila Kuleshova
Crystal Growth and Design pubs.ACS pages 3929--3934 vol. 14 num. 4 - july 2014  doi: 10.1021/cg500511p
Peer-reviewed publications in international events
[4-HOF14] [Add to your selection]
Extension of Crystal Structure Prediction to Hydrates, Organometallic and Inorganic Compounds.
Detlef W.M. Hofmann
23rd Annual Conference of the German Crystallographic Society (DGK) - 2014
Various talks, works and publications
[6-VHP14] [Add to your selection]
Method for determining values of molecular properties
Maria Valentini, Detlef W.M. Hofmann, Enrico Pieroni
International Patent Deposit - WO2014/033670 A2, 6 March 2014 - - march 2014
 
Publications en 2013
Books and Book Chapters
[1-HKF13] [Add to your selection]
INTERMOLECULAR INTERACTIONS IN CRYSTALS: VIA EXPERIMENT AND THEORY TO INDUSTRIAL APPLICATION. INTERNATIONAL CONFERENCE [Download PDF version]
Detlef W.M. Hofmann, Liudmila Kuleshova, Emanuela Falqui
Building 1, Science and Technology Park Polaris - Piscina Manna, 09010 Pula (CA) - ITALY - april 2013
Peer-reviewed publications in International Journals
[2-KHB13] [Add to your selection]
Lattice Energy Calculation - A Quick Tool for Screening of Cocrystals and Estimation of Relative Solubility. Case of Flavonoids
Liudmila Kuleshova, Detlef W.M. Hofmann, Roland Boese
Chemical Physics Letters Elsevier pages 26--32 vol. 564 num. 28.03.13 - march 2013  doi: 10.1016/j.cplett.2013.02.008
Peer-reviewed publications in international events
[4-HK13] [Add to your selection]
Solubility Prediction by Crystal Structure Prediction with Force Fields obtained by Data Mining
Detlef W.M. Hofmann, Liudmila Kuleshova
22nd Annual Conference of the German Crystallographic Society (DGK) 2014 - 2013
[4-KH13] [Add to your selection]
Lattice energy calculation - a quick tool for screening of stability and relative solubility of cocrystals.
Liudmila Kuleshova, Detlef W.M. Hofmann
21st Annual Conference of the German Crystallographic Society (DGK) - 2013
[4-HOF13] [Add to your selection]
Solubility and Crystal Structure Prediction
Detlef W.M. Hofmann
Intermolecular Interactions in Crystals - 2013
 
Publications en 2012
Books and Book Chapters
[1-HK12] [Add to your selection]
Data Mining in Crystallography
Detlef W.M. Hofmann, Liudmila Kuleshova
Springer Verlag Structure and Bonding Heidelberg vol. 134 - 2012
isbn: 978-3-642-26161-9
Peer-reviewed publications in International Journals
[2-KVH12] [Add to your selection]
Solvents and Isotopic effects on Acridine and deuterated Acridine Polymorphism
Anna Kupka, Vera Vasylyeva, Detlef W.M. Hofmann, Klaus Merz
Crystal Growth & Design American Chemical Society - november 2012
issn: 1528-7483, 1528-7505  doi: 10.1021/cg300959w
Peer-reviewed publications in international events
[4-KH12] [Add to your selection]
Crystal Structure Prediction as a Tool for Crystal Engineering of Cocrystals
Liudmila Kuleshova, Detlef W.M. Hofmann
Interantaionl Symposium 'Small Molecules in Interactions' Ruhr-University Bochum - march 2012
[4-HHK12] [Add to your selection]
Fast estimation of the free energy of synthons by data mining
Detlef W.M. Hofmann, Franziska Hofmann, Liudmila Kuleshova
International Symposium 'Small Molecules in Interactions' Ruhr-University Bochum - march 2012
Various talks, works and publications
[6-VHP12] [Add to your selection]
Metodo per determinare valori di proprietà molecolari
Maria Valentini, Detlef W.M. Hofmann, Enrico Pieroni
Italian Patent Deposit - MI2012A001457 30/08/2012 - - august 2012
[5-HOF12] [Add to your selection]
Data Mining in Chemistry exemplified for Crystal Structure Prediction [Download TXT version]
Detlef W.M. Hofmann
Collana seminari interni 2012 num. 20120516 - may 2012
 
Publications en 2011
Peer-reviewed publications in International Journals
[2-HKS11] [Add to your selection]
Towards crystal structure prediction of complex organic compounds – a report on the fifth blind test
Detlef W.M. Hofmann, Liudmila Kuleshova, Harold A. Scheraga, Graeme M. Day, David A. Bradwell, Bouke P. Van Eijck, Franziska Hofmann, Marcus A. Neumann, Jacco Van De Streek, Sarah L. Price, Elisabetta Venuti, Julio C. Facelli, Yelena A. Arnautova, Stephan X. M. Boerrigter, Panagiotis G. Karamertzanis, Frank J. J. Leusen
Acta Crystallographica Section B International Union of Crystallography pages 535–551 vol. 67 - 2011
issn: 0108-7681  doi: 10.1107/S0108768111042868
[2-CDK11] [Add to your selection]
A powerful computational crystallography method to study ice polymorphism
Marco Cogoni, Bruno D'Aguanno, Liudmila Kuleshova, Detlef W.M. Hofmann
J. Chem. Phys. pages 204506 (1--10) vol. 134 - january 2011  doi: 10.1063/1.3593200
Peer-reviewed publications in international events
[4-HKH11] [Add to your selection]
Data Base driven Crystal Structure Prediction with fine-tuned Force Fields
Detlef W.M. Hofmann, Liudmila Kuleshova, Franziska Hofmann
Joint Meeting DGK, DMG, ÖMG 'Crystals, Minerals and Materials' (Salzburg, Austria 2011) Oldenbourg Verlag Annual Conference Series pages 16 DGK, DMG, ÖMG - 2011
[4-KH11] [Add to your selection]
Crystal structure prediction as tool for crystal engineering of co-crystals. The prediction of free lattice energies and its effect on thermodynamic properties, e.g. solubility
Liudmila Kuleshova, Detlef W.M. Hofmann
Joint Meeting DGK, DMG, ÖMG 'Crystals, Minerals and Materials' (Salzburg, Austria 2011) Oldenbourg Verlag Annual Conference Series pages 15 DGK, DMG, ÖMG - 2011
Various talks, works and publications
[6-HOF11] [Add to your selection]
Data driven Molecular Modeling exemplified for Crystal Structure Prediction and Water
Detlef W.M. Hofmann
Oral Presentation - 5. Workshop Forschergruppe 618 'Aggregation mit präzisen Methoden verstehen - Experiment und Theorie im Wechselspiel' - february 2011
 
Publications en 2010
Peer-reviewed publications in International Journals
[2-HCK10] [Add to your selection]
Temperature and pressure in computational crystallography: a case study of ice [Download PDF version]
Detlef W.M. Hofmann, Marco Cogoni, Liudmila Kuleshova, Bruno D'Aguanno
Acta Crystallographica Section A pages s74--s75 vol. A66 - 2010
[2-HKD10] [Add to your selection]
Theoretical simulations of proton conductivity: basic principles of the proton conductor
Detlef W.M. Hofmann, Liudmila Kuleshova, Bruno D'Aguanno
J. Power Sources pages 7743--7750 vol. 195 - 2010
Peer-reviewed publications in international events
[4-HKC10] [Add to your selection]
Temperature and pressure in computational crystallography: a case study of ice
Detlef W.M. Hofmann, Liudmila Kuleshova, Marco Cogoni, Bruno D'Aguanno
26 th European C rystallographic Meeting International Union of Crystallography - 2010
Contractual reports
[7-HKD10] [Add to your selection]
Theoretical simulations of proton conductivity: basic priciples of the proton conductor
Detlef W.M. Hofmann, Liudmila Kuleshova, Bruno D'Aguanno
CRS4, Center for Advanced Studies, Research and Development in Sardinia Cagliari, Italy num. 10/88 techreport - august 2010
 
Publications en 2009
Books and Book Chapters
[1-HK09] [Add to your selection]
Data mining in crystallography [Download PDF version]
Detlef W.M. Hofmann, Liudmila Kuleshova
Springer Verlag, chap. Preface, pages ix--xii Structure and Bonding Heidelberg vol. 134 inbook - 2009
[1-HOF09] [Add to your selection]
Data mining in organic crystallography
Detlef W.M. Hofmann
Springer Verlag, chap. Data Mining in Organic Crystallography, pages 89--135 Structure and Bonding Heidelberg vol. 134 inbook - 2009
[1-HK09] [Add to your selection]
Data mining in crystallography
Detlef W.M. Hofmann, Liudmila Kuleshova
Springer Verlag Structure and Bonding Heidelberg vol. 134 - 2009
isbn: 978-3-642-04758-9
[1-HK09] [Add to your selection]
Data mining in crystallography
Detlef W.M. Hofmann, Liudmila Kuleshova
Springer Verlag Structure and Bonding Heidelberg vol. 134 - 2009
isbn: 978-3-642-04759-6
[1-DHK09] [Add to your selection]
Encyclopedia of electrochemical power sources
Bruno D'Aguanno, Detlef W.M. Hofmann, Liudmila Kuleshova, Lorenzo Pisani
Elsevier, chap. Basics: Modeling of Membranes, pages vol. 1-5 inbook - 2009
Peer-reviewed publications in International Journals
[2-HKD09] [Add to your selection]
Investigation of water structure in nafion membranes by infrared spectroscopy and molecular dynamics simulation
Detlef W.M. Hofmann, Liudmila Kuleshova, Bruno D'Aguanno, Vito Di Noto, Enrico Negro, Fosca Conti, Michele Vittadello
Journal of Physical Chemistry B pages 632--639 vol. 113 num. 3 - 2009
[2-HKH09] [Add to your selection]
Cluster analysis and completeness of crystal structure generation
Detlef W.M. Hofmann, Liudmila Kuleshova, Franziska Hofmann, Bruno D'Aguanno
Chemical Physics Letters pages 149--155 vol. 475 - 2009
[2-DCC09] [Add to your selection]
Significant progress in predicting the crystal structures of small organic molecules - a report on the fourth blind test
Graeme M. Day, Timothy G. Cooper, Aurora J. Cruz-Cabeza, Katarzyna E. Hejczyk, Herman L. Ammon, Stephan X. M. Boerrigter, Jeffrey S. Tan, Raffaele G. Della Valle, Elisabetta Venuti, Jovan Jose, Shridhar R. Gadre, Gautam R. Desiraju, Tejender S. Thakur, Bouke P. Van Eijck, Julio C. Facelli, H Victor E. Bazterra, Marta B. Ferraro, Detlef W.M. Hofmann, Marcus A. Neumann, Frank J. J. Leusen, John Kendrick, Sarah L. Price, Alston J. Misquitta, Panagiotis G. Karamertzanis, Gareth W. A. Welch, Harold A. Scheraga, Yelena A. Arnautova, Martin U. Schmidt, Jacco Van De Streek, Alexandra K. Wolf, Bernd Schweizer
Acta Crystallographica Section B pages 107--125 vol. 65 - 2009
Various talks, works and publications
[6-PVH09] [Add to your selection]
What kind of atoms are there? natural atomic types from pdb and their relevance for structural modeling
Enrico Pieroni, Maria Valentini, Detlef W.M. Hofmann
Poster presented at the ISMB/ECCB conference, June 27 - July 2, Stockholm, Sweden - 2009
Contractual reports
[7-HOF09] [Add to your selection]
Data mining in crystallography
Detlef W.M. Hofmann
CRS4, Center for Advanced Studies, Research and Development in Sardinia Cagliari, Italy num. 09/53 techreport - october 2009
 
Publications en 2008
Peer-reviewed publications in International Journals
[2-PVH08] [Add to your selection]
An analytical model for the conductivity of polymeric sulfonated membranes
Lorenzo Pisani, Maria Valentini, Detlef W.M. Hofmann, Liudmila Kuleshova, Bruno D'Aguanno
Solid State Ionics pages 465--476 vol. 179 - 2008
[2-PVH08] [Add to your selection]
An analytical model for the conductivity of polymeric sulfonated membranes
Lorenzo Pisani, Maria Valentini, Detlef W.M. Hofmann, Liudmila Kuleshova, Bruno D'Aguanno
Solid State Ionics pages 465-476 vol. 179 - 2008
[2-HKD08] [Add to your selection]
Molecular dynamics simulation of hydrated nafion with a reactive force field for water
Detlef W.M. Hofmann, Liudmila Kuleshova, Bruno D'Aguanno
Journal Molecular Modeling pages 225--235 vol. 14 num. 3 - march 2008
 
Publications en 2007
Peer-reviewed publications in International Journals
[2-HKD07] [Add to your selection]
A new reactive potential for the molecular dynamics simulation of liquid water
Detlef W.M. Hofmann, Liudmila Kuleshova, Bruno D'Aguanno
Chemical Physics Letters pages 138--143 vol. 448 num. 1-3 - november 2007
 
Publications en 2006
Various talks, works and publications
[6-VHD06] [Add to your selection]
Molecular dynamics study of composite nafion membranes
Maria Valentini, Detlef W.M. Hofmann, Bruno D'Aguanno, Lorenzo Pisani, Enrico Pieroni
Talk at the Fuel Cells Science & Technology Conference, 13-14 September, 2006, Torino, Italy - 2006
[6-PVD06] [Add to your selection]
A simple analytical model for the conductivity of polymeric sulfonated membranes
Lorenzo Pisani, Maria Valentini, Bruno D'Aguanno, Detlef W.M. Hofmann, Enrico Pieroni
Talk at the 6th International Symposium on New Materials for Electrochemical Systems, 9-12 July, 2006, Montreal, Canada - 2006
[6-VHD06] [Add to your selection]
Molecular dynamics analysis of hydrated nafion membranes
Maria Valentini, Detlef W.M. Hofmann, Bruno D'Aguanno, Lorenzo Pisani, Enrico Pieroni
Talk at the 6th International Symposium on New Materials for Electrochemical Systems, 9-12 July, 2006, Montreal, Canada - july 2006
[6-HVD06] [Add to your selection]
Simulation of composite nafion fuel cell membranes
Detlef W.M. Hofmann, Maria Valentini, Bruno D'Aguanno, Lorenzo Pisani, Enrico Pieroni
Presentation at the 6th International Symposium on New Materials for Electrochemical Systems, Montreal, 9-12 July, 2006 - july 2006
 
Publications en 1995
Peer-reviewed publications in International Journals
[2-WHP95] [Add to your selection]
Extension of the coulomb-hole-hartree-fock theory to molecules
L. De Windt, Detlef W.M. Hofmann, Lorenzo Pisani, Enrico Clementi
Int. J. of Quantum Chem. pages 131 vol. 53 - 1995
[2-CH95] [Add to your selection]
Coulomb-Hole-Hartree-Fock Functional for molecular systems
Enrico Clementi, Detlef W.M. Hofmann
Journal of Moleculaar Structure (Theochem) Elsevier Science pages 17-31 vol. 330 - 1995
 
Publications en 1994
Peer-reviewed publications in International Journals
[2-CH94] [Add to your selection]
Coulomb-Hole-Hartree-Fock Functional
Enrico Clementi, Detlef W.M. Hofmann
International Journal of Quantum Chemistry John Wiley & Sons pages 849-865 vol. 52 - 1994
 
Publications en 1993
Books and Book Chapters
[1-CH93] [Add to your selection]
Metecc-94
Enrico Clementi, Detlef W.M. Hofmann
STEF, chap. Coulomb-Hole-Hartree-Fock Functional, pages 1-22 - 1993
[1-HHC93] [Add to your selection]
Metecc-94
Eduardo Hollauer, Detlef W.M. Hofmann, Enrico Clementi
STEF, chap. Symmetry in MOLECOLE, pages 131-154 - 1993

75 publications Download the selection