4 research outputs found
A microsolvation approach to the prediction of the relative enthalpies and free energies of hydration for ammonium ions
- Author
- AP Scott
- APL Rendell
- B Liu
- B Safi
- C Møller
- C Reichardt
- CCJ Roothaan
- CJ Cramer
- CJ Cramer
- DC Caskey
- EM Arnett
- ER Davidson
- FM Jones III
- G. D. Fletcher
- G. N. Merrill
- GD Fletcher
- GD Fletcher
- GG Hall
- GM Chaban
- GN Merrill
- GN Merrill
- I Tuñon
- I TÅ©non
- JA Pople
- JH Jensen
- JL Pascual-Ahuir
- KR Glaesemann
- KR Glaesemann
- LA Curtiss
- M Kawata
- M Kawata
- M Meot-Ner
- M Meot-Ner
- MJ Frisch
- MM Francl
- MW Schmidt
- PC Hariharan
- PN Day
- R Cammi
- R Ditchfield
- RS Drago
- RW Taft
- S Galera
- T Clark
- W Chen
- WJ Hehre
- WJ Stevens
- Y-S Wang
- Y-S Wang
- Publication venue
- 'Springer Science and Business Media LLC'
- Publication date
- 01/01/2007
- Field of study
No full textDensity-functional expansion methods: grand challenges
- Author
- A Sodt
- AT Paxton
- B Zhou
- BI Dunlap
- BI Dunlap
- C Köhler
- CH Choi
- D Porezag
- Darrin M. York
- DM Elking
- DM York
- DM York
- DT Chang
- E Hückel
- E Hückel
- E Hückel
- E Hückel
- EG Hohenstein
- EW Hobson
- G Murdachaew
- G Seifert
- G Zheng
- GA Cisneros
- GB Rocha
- J Morales
- J Piquemal
- JA Kalinowski
- JA Pople
- JA Pople
- JC Slater
- JJP Stewart
- JJP Stewart
- JP Perdew
- JP Perdew
- KA Maerzke
- KR Glaesemann
- L Fiedler
- LA Curtiss
- M Elstner
- M Elstner
- M Elstner
- M Gaus
- M Kolb
- MJS Dewar
- MJS Dewar
- N Matsuzawa
- N Otte
- NC Baird
- P Itskowitz
- P Winget
- P Winget
- R Ahlrichs
- R Hoffmann
- R Pariser
- RC Bingham
- RF Nalewajski
- RG Parr
- RG Pearson
- S Hamel
- T Clark
- T Frauenheim
- T Frauenheim
- T Frauenheim
- T Tuttle
- TB Pedersen
- Timothy J. Giese
- TJ Giese
- TJ Giese
- TJ Giese
- TJ Giese
- TJ Giese
- TJ Giese
- TJ Giese
- TJ Giese
- W Kohn
- W Thiel
- W Weber
- WJ Mortier
- WJ Mortier
- Y Jung
- Y Tu
- Y Yang
- Y Yang
- Publication venue
- 'Springer Science and Business Media LLC'
- Publication date
- Field of study
No full textDensity Functional Theory of Bose–Einstein Condensation: Road to Chemical Bonding Quantum Condensate
- Author
- A Einstein
- A Findlay
- AJ Leggett
- AJ Leggett
- AP Albus
- ARP Lima
- B Smit
- BG Baekelandt
- BH Bransden
- CA Regal
- CCJ Roothaan
- CJ Pethick
- CK Whitney
- CN Cohen-Tannoudji
- D Bohm
- D Frenkel
- DD Osheroff
- DR Hartree
- E Fermi
- EP Gross
- EU Condon
- F London
- G Corongiu
- G Modugno
- GS Nunes
- GWF Drake
- GWF Drake
- H Chermette
- H Feshbach
- H Kamerlingh-Onnes
- H Kleinert
- H Kleinert
- H Kleinert
- H Kleinert
- J Bardeen
- J Brand
- JA Pople
- JC Slater
- JC Slater
- JD Baker
- JE Lennard-Jones
- JE Lennard-Jones
- JE Lennard-Jones
- JH Park
- JL Roberts
- JO Andersen
- K Huang
- K Ruedenberg
- KB Davis
- KR Glaesemann
- L Broglie de
- L Broglie de
- L Broglie de
- L Pauling
- L Tisza
- LD Landau
- LH Thomas
- LN Oliveira
- LP Kadanoff
- LP Pitaevsky
- M Berkowitz
- M Greiner
- M Greiner
- MH Anderson
- MV Putz
- MV Putz
- MV Putz
- MV Putz
- MV Putz
- MV Putz
- MV Putz
- MV Putz
- MV Putz
- N Argaman
- N Bogoliubov
- NH March
- NM Hugenholtz
- O Penrose
- P Anderson
- P Atkins
- P Geerlings
- P Hohenberg
- P Kapitza
- PC Hohenberg
- PK Chattaraj
- PM Stevenson
- RFW Bader
- RG Parr
- RG Parr
- RG Parr
- RJ Borg
- RJ Gillespie
- RM Dreizler
- RO Jones
- RP Feynman
- RP Feynman
- RS Mulliken
- S Grimme
- S Jochim
- S Stringari
- S Yi
- S Zhen
- SG Bratsch
- SN Bose
- T Berlin
- TC Scott
- TD Lee
- THK Barron
- V Bagnato
- W Heitler
- W Kohn
- WC Oelke
- YE Kim
- Z-C Yan
- Publication venue
- 'Springer Science and Business Media LLC'
- Publication date
- Field of study
No full textDFT Chemical Reactivity Driven by Biological Activity: Applications for the Toxicological Fate of Chlorinated PAHs
- Author
- A Cherkasov
- A Cornish-Bowden
- A Kitazawa
- A Streitwieser
- A Szabo
- A Tachibana
- AD Becke
- AD Becke
- AD Becke
- AD Buckingham
- AJ Brown
- AJ Brown
- AK Lund
- AL Allred
- AL Blackenship
- B Miehlich
- BG Johnson
- BO Roos
- BO Roos
- BO Roos
- C Hansch
- C Lee
- CCJ Roothaan
- CCJ Roothaan
- CCJ Roothaan
- CCJ Roothaan
- CE Bostrom
- CJ Cramer
- CM Beaudry
- CR Hickenboth
- D Bergmann
- D Bokhan
- D Noble
- D Sholl
- D Voet
- D Young
- DC Ghosh
- DC Ghosh
- DJ Klein
- DR Hartree
- DR Hartree
- DR Hartree
- DW Nebert
- E Benfenati
- E Clementi
- E Fermi
- E Hückel
- E Hückel
- E Runge
- E Teller
- EH Lieb
- EJ Crampin
- F Jensen
- G Corongiu
- G Klopman
- G Klopman
- G Senatore
- GD Purvis
- GD Veith
- H Chermette
- H Kubinyi
- H Schmidli
- HyperChem 7.01
- J Ploetner
- J Robles
- J Topliss
- J Wang
- JA Pople
- JA Pople
- JA Pople
- JA Walisser
- JB Collins
- JBS Haldane
- JC Lhuguenot
- JC Slater
- JC Slater
- JC Slater
- JG Topliss
- JG Topliss
- JK Seyfel
- JL Gázquez
- JLM Hermes
- JP Incardona
- JP Incardona
- JP Perdew
- K Burke
- KJ Jalkanen
- KJ Jalkanen
- KR Glaesemann
- KW Bock
- L Komorowski
- L Komorowski
- L Michaelis
- L Pauling
- L Pauling
- LA Curtiss
- LC Allen
- LH Thomas
- LJ Bartolotti
- M Berkowitz
- M Born
- M Hahn
- MA Savageau
- MA Savageau
- MM Richard
- MS Denison
- MV Putz
- MV Putz
- MV Putz
- MV Putz
- MV Putz
- MV Putz
- MV Putz
- MV Putz
- MV Putz
- MV Putz
- MV Putz
- MV Putz
- MV Putz
- MV Putz
- MV Putz
- MV Putz
- MV Putz
- MV Putz
- MV Putz
- N Balà zs
- N Islam
- N Ogihara
- NA Besley
- NH March
- NH March
- P Geerlings
- P Geerlings
- P Hohenberg
- PA Derosa
- PAM Dirac
- PAM Dirac
- PK Chattaraj
- PK Chattaraj
- PK Chattaraj
- PK Chattaraj
- PK Chattaraj
- PK Chattaraj
- PM Fernandez-Salguero
- PMW Gill
- PO Löwdin
- PO Löwdin
- PO Löwdin
- PW Ayers
- PW Ayers
- R Hoffmann
- R Hoffmann
- R Pariser
- R Silaghi-Dumitrescu
- R Silaghi-Dumitrescu
- RA Copeland
- RB Woodward
- RF Nalewajski
- RF Stewart
- RG Parr
- RG Parr
- RG Parr
- RG Parr
- RG Parr
- RG Parr
- RG Parr
- RG Parr
- RG Pearson
- RG Pearson
- RG Pearson
- RG Pearson
- RG Pearson
- RG Pearson
- RG Pearson
- RJ Bartlett
- RJ Bartlett
- RJ Bartlett
- RJ Boyd
- RK Nesbet
- RM Dreizler
- RP Iczkowski
- RS Mulliken
- RT Sanderson
- S Lv
- S Lv
- S Safe
- S Schnell
- S Schnell
- SF Boys
- SG Bratsch
- SH Vosko
- T Ohura
- T Ohura
- TE Turner
- TW Schluz
- UL Nilsson
- V Fock
- V Henri
- V Henri
- W Heitler
- W Koch
- W Kohn
- W Kohn
- W Pauli
- WG Han
- WJ Hehre
- WS Ohlinger
- Z Deng
- Publication venue
- 'Springer Science and Business Media LLC'
- Publication date
- Field of study
No full text
