10 research outputs found
Quasienergy Derivative Method for the Optical Susceptibilities of Molecules in the Floquet Theory
- Author
- Publication venue
- 'Pleiades Publishing Ltd'
- Publication date
- 01/01/2005
- Field of study
Full text linkFloquet gauge-invariant coupled perturbation theory in calculations of the optical susceptibilities of molecules
- Author
- Publication venue
- 'Pleiades Publishing Ltd'
- Publication date
- Field of study
Full text linkPhotochromism of Dithienylethenes Included in Cyclodextrins
- Author
- Agati G.
- Briquet A. A. S.
- Costanzo L. L.
- Dewar M. J. S.
- Eggers L.
- Feringa B. L.
- Feringa B. L.
- Feringa B. L.
- Feringa B. L.
- For
- For
- For
- For
- For
- For
- Hanazawa M.
- Heller H.G.
- Hoshino M.
- Huck N. P. M.
- Irie M.
- Irie M.
- Jager W. F.
- Kodaka M.
- Kodaka M.
- Moriwaki F.
- Sasagane K.
- Stewart J. J. P. MOPAC
- Suarez M.
- Takeshita M.
- Tamaki T.
- Tanio N.
- Tsujioka T.
- Uchida K.
- Ueno A.
- Wintgens V.
- Yamaguchi T.
- Yokoyama Y.
- Publication venue
- 'American Chemical Society (ACS)'
- Publication date
- Field of study
Full text linkTDMP2 Calculation of Dynamic Multipole Polarizabilities and Dispersion Coefficients of the Noble Gases Ar, Kr, Xe, and Rn
- Author
- Bishop D. M.
- Bishop D. M.
- Bishop D. M.
- Buchmüller W.
- Bulski M.
- Bulski M.
- Cernusak I.
- Dalgarno A.
- Fowler P. W.
- Handy N. C.
- Helgaker T.
- Helgaker T.
- Hess B. A.
- Hess B. A.
- Hohm U.
- Hohm U.
- Huzinaga S.
- Hättig C.
- Jansen G.
- Jaszuński M.
- Johnstone D. R.
- Jørgensen P.
- Kolb D.
- Kumar A.
- Langhoff P. W.
- Maroulis G.
- McEachran R. P.
- Nicklass A.
- Rahman N. K.
- Rice J. E.
- Rice J. E.
- Rijks W.
- Sadlej A.
- Sasagane K.
- Sauer S. P. A.
- Stiehler J.
- Sucher J.
- Teachout R. R.
- Thakkar A. J.
- Thakkar A. J.
- Woon D. E.
- Wormer P. E. S.
- Wormer P. E. S.
- Zeiss G. D.
- Publication venue
- 'American Chemical Society (ACS)'
- Publication date
- Field of study
Full text linkTransition dipole function and radiative lifetimes for the A and C 1Σ+ states of the LiH molecule
- Author
- A. Balkova
- A. Boutalib
- A. Pardo
- A. Pardo
- C.F. Bender
- C.R. Vidal
- C.Y. Wu
- D.M. Bishop
- D.M. Bishop
- D.M. Bishop
- E. Rothstein
- F. Gemperle
- F. Gemperle
- F.A. Gianturco
- F.X. Gadéa
- F.X. Gadéa
- F.X. Gadéa
- F.X. Gadéa
- Florent Xavier Gadéa
- H. Berriche
- H. Partridge
- H. Partridge
- H. Partridge
- Hamid Berriche
- J.O. Jensen
- K. Sasagane
- K.K. Docken
- K.K. Docken
- K.K. Docken
- K.K. Docken
- K.R. Way
- L. Mendez
- L. Wharton
- L. Wharton
- M. Brieger
- N. Bouloufa
- N. Geum
- P.H. Wine
- P.J. Dagdigian
- P.J. Dagdigian
- S. Ben-Shlomo
- S.J. Till
- S.K. Tokunaga
- T.L. Stephens
- W. Zrafi
- W.C. Tung
- W.T. Zemke
- X.C. Wang
- Y.C. Chan
- Y.C. Chan
- Y.L. Huang
- Publication venue
- 'Springer Science and Business Media LLC'
- Publication date
- Field of study
Full text linkAn analysis of structural, spectroscopic signatures, reactivity and anti-bacterial study of synthetized 4-chloro-3-sulfamoylbenzoic acid
- Author
- A. Ratnakar
- Adant
- Almeida
- Andersson
- Armaković
- Ayers
- Barry
- Baseia
- Bella
- Bradsshow
- C. Sampath
- Castro
- Castro
- Ch. Kavitha
- Chaturvedi
- Chemia
- Chibale
- Clausen
- Colthup
- Custodio
- Custodio
- Custodio
- Custodio
- De Clercq
- Dennington
- Drew
- El-Sayed
- Foresman
- Frisch
- Geerlings
- Glendening
- Glendening
- Govindarasu
- Gowda
- Gowda
- Gryn’ova
- Hanafy
- Himal
- Hirayama
- Hirshfeld
- Hovorka
- K. Narendra
- Karabacak
- Kennedy
- Koopmans
- Krishna Murthy
- Krishna Murthy
- Krishna Murthy
- Krishna Murthy Potla
- Levin
- Lienard
- Liu
- Mulliken
- Mun
- Murray
- Murthy
- Murugavel
- Murugavel
- Naseem
- Nuthalapati Poojith
- Nuthalapati Venkatasubba Naidu
- P.A. Suchetan
- Parkin
- Parr
- Parr
- Ribeiro
- Rodrigues
- Roges
- Rohl
- Roush
- Sasagane
- Scrocco
- Sheldrick
- Silverstein
- Socrates
- Spackman
- Spackman
- Stokes
- Subrata Banik
- Tahir
- Tamagawa
- Valverde
- Valverde
- Valverde
- Valverde
- Valverde
- Varsanyi
- Vaz
- Vega-Hissi
- Vullo
- Wang
- Wolff
- Wright
- Yu
- Publication venue
- 'Elsevier BV'
- Publication date
- Field of study
Full text linkAn Atomic-Orbital-Based Lagrangian Approach for Calculating Geometric Gradients of Linear Response Properties
- Author
- Barron L. D.
- Bartlett R. J.
- Becke A. D.
- Berger R.
- Bernhardsson A.
- Callomon J.
- Christiansen O.
- Christiansen O.
- Cohen E.
- Coriani S.
- Coriani S.
- Crawford B.
- Fischer G.
- Frigo M.
- Furche F.
- Hald K.
- Helgaker T.
- Helgaker T.
- Helgaker T.
- Helgaker T.
- Helgaker T.
- Helgaker T.
- Helgaker T.
- Helgaker T.
- Helgaker T. U.
- Hettema H.
- Hiraya A.
- Hättig C.
- Hättig C.
- Jankowiak H.-C.
- Jørgensen P.
- Kjærgaard T.
- Kjærgaard T.
- Kjærgaard T.
- Koch H.
- Larsen H.
- Larsen H.
- Lebedev V. I.
- Lebedev V. I.
- Lebedev V. I.
- Lin N.
- Lindh R.
- Liégeois V.
- Olsen J.
- Orlandi G.
- Page R.
- Pantos E.
- Parr R. G.
- Pulay P.
- Quinet O.
- Quinet O.
- Quinet O.
- Radle W.
- Rappoport D.
- Ruud K.
- Santoro F.
- Sasagane K.
- Sałek P.
- Sałek P.
- Sałek P.
- Schäfer A.
- Stephens P. J.
- Stephenson T.
- Szabo A.
- Thorvaldsen A.
- Thorvaldsen A.
- Thorvaldsen A. J.
- Wilson E. B.
- Yanai T.
- Publication venue
- 'American Chemical Society (ACS)'
- Publication date
- Field of study
Full text linkComparison of TD-DFT Methods for the Calculation of Two-Photon Absorption Spectra of Oligophenylvinylenes
- Author
- Albota M.
- Artëm E. Masunov
- Awasthi M.
- Badaeva E. A.
- Becke A. D.
- Becke A. D.
- Belfield K. D.
- Belfield K. D.
- Beljonne D.
- Bhawalkar J. D.
- Boese A. D.
- Casida M. E.
- Chernyak V.
- Croitor L.
- Cronstrand P.
- Cronstrand P.
- Day P. N.
- Day P. N.
- Day P. N.
- Draguta S.
- Drobizhev M.
- Dunning T. H.
- Epifanovsky E.
- Filippidis G.
- Frediani L.
- Frisch M. J.
- Gritsenko O.
- He G. S.
- Hirata S.
- Hirata S.
- Hrobarikova V.
- Hu H.
- Iffat H. Nayyar
- Iikura H.
- Iikura H.
- Jacquemin D.
- Juodkazis S.
- Kamarchik E.
- Kauffman J. F.
- Kiran P. P.
- Kobko N.
- Krukau A. V.
- Lee C. T.
- Lehtonen O.
- Lemercier G.
- Li X. L.
- Liang W. K.
- Lin T. C.
- Luchita G.
- Masunov A.
- Masunov A. E.
- Masunov A. M.
- Meng S.
- Mikhailov I. A.
- Mikhailov I. A.
- Mikhailov I. A.
- Mikhailov I. A.
- Mikhailov I. A.
- Murugan N. A.
- Nayyar I. H.
- Nayyar I. H.
- Ohta K.
- Olsen J.
- Orr B. J.
- Patel P. D.
- Patel P. D.
- Pawlicki M.
- Peceli D.
- Pond S. J. K.
- Rumi M.
- Rumi M.
- Salek P.
- Sasagane K.
- Savin A.
- Sergei Tretiak
- Shuai Z.
- Silva D. L.
- Slyfield C. R.
- Son S. K.
- Stephens P. J.
- Stratmann R. E.
- Suponitsky K. Y.
- Suponitsky K. Y.
- Suponitsky K. Y.
- Suponitsky K. Y.
- Tafur S.
- Terenziani F.
- Toffoli D.
- Toffoli D.
- Toro C.
- Tretiak S.
- Tsuji M.
- Wasserman A.
- Webster S.
- Wu C.
- Yanai T.
- Zein S.
- Zhang L. M.
- Zhao Y.
- Zhao Y.
- Zhao Y.
- Zhu L. Y.
- Zijlstra P.
- Zojer E.
- Publication venue
- 'American Chemical Society (ACS)'
- Publication date
- Field of study
Full text linkAccurate Nonlinear Optical Properties for Small Molecules
- Author
- A. Cotton
- A. Halkier
- A. Halkier
- A. Rizzo
- A. Rizzo
- A. Rizzo
- A. Rizzo
- A. Rizzo
- A. Rizzo
- A. Rizzo
- A. Rizzo
- A.A. Auer
- A.D Buckingham
- A.D. Buckingham
- A.D. Buckingham
- A.D. Buckingham
- A.D. Buckingham
- A.D. Buckingham
- A.D. Buckingham
- A.J. Russell
- B. Datta
- C. Cappelli
- C. Graham
- C. Hättig
- C. Hättig
- C. Hättig
- C. Hättig
- C. Hättig
- C. Hättig
- C. Hättig
- C. Hättig
- C. Hättig
- C. Rizzo
- C.E. Smith
- C.L. Thomsen
- D. Spelsberg
- D.A. Imrie
- D.E. Woon
- D.E. Woon
- D.L. Gray
- D.L. Yeager
- D.M Bishop
- D.M. Bishop
- D.M. Bishop
- D.M. Bishop
- D.P Shelton
- D.P. Chong
- D.P. Shelton
- D.P. Shelton
- D.P. Shelton
- D.P. Shelton
- E. Dalgaard
- E.A. Salter
- E.B. Graham
- E.B. Graham
- E.M Verdet
- F London
- F Pockels
- F. Aiga
- F. Pawłowski
- F. Pawłowski
- F. Visser
- G. Maroulis
- G.D. Purvis III
- G.L.D. Ritchie
- G.L.J.A. Rikken
- H Sambe
- H. Koch
- H. Koch
- H. Koch
- H. Koch
- H. Koch
- H. Koch
- H. Koch
- H. Koch
- H. Koch
- H. Larsen
- H. Larsen
- H. Larsen
- H. Sekino
- H. Sekino
- H.F Hameka
- H.J.Å. Jensen
- J Kerr
- J Kerr
- J Stanton
- J. Dudley
- J. Gauss
- J. Gauss
- J. Herranz
- J. Kongsted
- J. Kongsted
- J. Noga
- J. Olsen
- J.D. Watts
- J.E Rice
- J.E. Rice
- J.E. Rice
- J.E. Rice
- J.F. Stanton
- J.F. Stanton
- J.F. Stanton
- J.F. Ward
- J.M.L Martin
- J.N. Watson
- K. Hald
- K. Hald
- K. Muroo
- K. Raghavachari
- K. Ruud
- K. Sasagane
- K. Wolinski
- K.L. Bak
- K.L. Bak
- K.L. Bak
- L.R. Ingersoll
- M Faraday
- M Faraday
- M. Jaszuński
- M. Nooijen
- M. Urban
- M.G. Papadopoulos
- M.R. Battaglia
- N. Russ
- O. Christiansen
- O. Christiansen
- O. Christiansen
- O. Christiansen
- O. Christiansen
- O. Christiansen
- O. Christiansen
- O. Christiansen
- O. Christiansen
- O. Christiansen
- O.L. Lange de
- P. Jørgensen
- P. Kaatz
- P. Kramer
- P. Norman
- P. Rozyczko
- P. Rozyczko
- P. Sałek
- P. Sałek
- P. Sałek
- P.A. Snyder
- P.E.S. Wormer
- P.J Stephens
- P.J Stephens
- P.N. Butcher
- P.N. Schatz
- P.R. Taylor
- P.W. Langhoff
- R Ditchfield
- R Ditchfield
- R. Cameron
- R. Franke
- R. Kobayashi
- R. Kobayashi
- R.A. Kendall
- R.C Jones
- R.E. Raab
- R.I. Keir
- R.K Nesbet
- S. Carusotto
- S. Coriani
- S. Coriani
- S. Coriani
- S. Coriani
- S. Coriani
- S. Coriani
- S. Coriani
- S. Høst
- S.A. Kucharski
- S.J.A. Gisbergen van
- S.R. Gwaltney
- T. Helgaker
- T. Helgaker
- T. Helgaker
- T. Korona
- T. Roth
- T.A. Ruden
- T.B. Pedersen
- T.B. Pedersen
- T.H Dunning
- V. Mizrahi
- V. Mizrahi
- V. Mizrahi
- W Kutzelnigg
- W. Klopper
- Y. Luo
- Y. Luo
- Y.S. Lee
- Y.S. Lee
- Z.L. Cai
- Publication venue
- 'Springer Science and Business Media LLC'
- Publication date
- 01/01/2006
- Field of study
Full text linkRelativistic Effects on Magnetic Resonance Parameters and Other Properties of Inorganic Molecules and Metal Complexes
- Author
- A Abragam
- A Bagno
- A Bagno
- A Bagno
- A Bohr
- A Bohr
- A Devarajan
- A Rodriguez-Fortea
- A Rosa
- A Rutkowski
- A Wolf
- A Ye
- A Ye
- A.J Sadlej
- AA Cheremisin
- AC Hennum
- AC Saladino
- AE Hansen
- AJ Rossini
- AJ Sadlej
- AW Ehlers
- B Guennic Le
- B.A Hess
- BE Mann
- C Chang
- C Hättig
- C Schumann
- C Thierfelder
- C Wüllen van
- CG Walle Van de
- CJ Pickard
- D Andrae
- D Goebel
- D Jayatilaka
- D Kolb
- D Peng
- D.L. Bryce
- DA Stephenson
- DD Konowalow
- DL Bryce
- E Lenthe van
- E Lenthe van
- E Lenthe van
- E Lenthe van
- E Lenthe van
- E Malkin
- EP Fowe
- F London
- F Neese
- F Neese
- F Neese
- F Neese
- F Réal
- F Wang
- F Wang
- FW Byron
- G Barone
- G Schreckenbach
- GA Aucar
- GH Lushington
- GH Lushington
- GH Lushington
- H Bolvin
- H Fukui
- H Fukui
- H Hellmann
- H Nakatsuji
- H.B. Schlegel
- HA Bethe
- HF King
- HH Stroke
- HJ Rosenberg
- I Malkin
- I Malkin
- I Morishima
- IP Grant
- IS Lim
- J Almlöf
- J Autschbach
- J Autschbach
- J Autschbach
- J Autschbach
- J Autschbach
- J Autschbach
- J Autschbach
- J Autschbach
- J Autschbach
- J Autschbach
- J Autschbach
- J Autschbach
- J Autschbach
- J Autschbach
- J Autschbach
- J Autschbach
- J Autschbach
- J Autschbach
- J Autschbach
- J Autschbach
- J Autschbach
- J Autschbach
- J David
- J David
- J Gao
- J Geertsen
- J Henriksson
- J Jokisaari
- J Khandogin
- J Khandogin
- J Oddershede
- J Oddershede
- J Vaara
- J Vaara
- J Vaara
- J Vaara
- J Vaara
- J Vaara
- J. Autschbach
- J.I Melo
- JB Foresman
- JD Morrison
- JE Harriman
- JE Rosenthal
- JP Desclaux
- JT Dickinson
- K Dyall
- K Kudo
- K Pierloot
- K Pierloot
- K Ray
- K Sasagane
- K Wu
- K. Ingram
- KG Dyall
- KJ Ooms
- L Jensen
- L Visscher
- L Visscher
- L.A. Eriksson
- LB Casabianca
- LF Chibotaru
- M Barysz
- M Barysz
- M Bühl
- M Filatov
- M Filatov
- M Hada
- M Ilias
- M Kaupp
- M Kaupp
- M Kaupp
- M Krykunov
- M Krykunov
- M Munzarová
- M Reiher
- M Rudolph
- M Sterzel
- M. Ishii
- M.I. Volodicheva
- MF Crawford
- MJ Willans
- ML Munzarová
- N Flitcroft
- N Gaston
- O Christiansen
- O Dmitrenko
- O Loboda
- O Loboda
- O Vahtras
- OL Malkina
- OL Malkina
- P Belanzoni
- P Hrobárik
- P Jørgensen
- P Lantto
- P Manninen
- P Manninen
- P Norman
- P Pyykkö
- P Pyykkö
- P Pyykkö
- P Pyykkö
- P Pyykkö
- P Pyykkö
- P Pyykkö
- P Pyykkö
- P Pyykkö
- P Salek
- P Schwerdtfeger
- P Schwerdtfeger
- P Schwerdtfeger
- P Schwerdtfeger
- P. Norman
- PHT Philipsen
- PO Lipas
- R Bast
- R Bast
- R Ditchfield
- R Fukuda
- R Fukuda
- R Mastalerz
- R McWeeny
- R Reviakine
- RE Moss
- RE Moss
- RH Hammerle
- RH Romero
- RH Romero
- RM Dickson
- RM Lobayan
- RV Boeckh
- S Kirpekar
- S Komorovsky
- S Komorovský
- S Okada
- S Patchkovskii
- S Patchkovskii
- SK Wolff
- SK Wolff
- SM Cybulski
- SPA Sauer
- ST Epstein
- T Alam
- T Baba
- T Enevoldsen
- T Ziegler
- TA Keith
- TB Pedersen
- TM Gilbert
- TR Cundari
- TR Cundari
- U Hohm
- U Hohm
- V Kellö
- V Kellö
- VM Shabaev
- W Chen
- W Koch
- W Kutzelnigg
- W Kutzelnigg
- W Kutzelnigg
- W Pauli
- W.H.E Schwarz
- WH Moores
- Y Nomura
- Y Xiao
- Y Xiao
- Publication venue
- 'Springer Science and Business Media LLC'
- Publication date
- Field of study
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