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Search Results - Kirpekar, Sheela
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The D alton quantum chemistry program system
by
Aidas, Kestutis
,
Angeli, Celestino
,
Bak, Keld L.
,
Bakken, Vebjørn
,
Bast, Radovan
,
Boman, Linus
,
Christiansen, Ove
,
Cimiraglia, Renzo
,
Coriani, Sonia
,
Dahle, Pål
,
Dalskov, Erik K.
,
Ekström, Ulf
,
Enevoldsen, Thomas
,
Eriksen, Janus J.
,
Ettenhuber, Patrick
,
Fernández, Berta
,
Ferrighi, Lara
,
Fliegl, Heike
,
Frediani, Luca
,
Hald, Kasper
,
Halkier, Asger
,
Hättig, Christof
,
Heiberg, Hanne
,
Helgaker, Trygve
,
Hennum, Alf Christian
,
Hettema, Hinne
,
Hjertenæs, Eirik
,
Høst, Stinne
,
Høyvik, Ida‐Marie
,
Iozzi, Maria Francesca
,
Jansík, Branislav
,
Jensen, Hans Jørgen Aa
,
Jonsson, Dan
,
Jørgensen, Poul
,
Kauczor, Joanna
,
Kirpekar, Sheela
,
Kjærgaard, Thomas
,
Klopper, Wim
,
Knecht, Stefan
,
Kobayashi, Rika
,
Koch, Henrik
,
Kongsted, Jacob
,
Krapp, Andreas
,
Kristensen, Kasper
,
Ligabue, Andrea
,
Lutnæs, Ola B.
,
Melo, Juan I.
,
Mikkelsen, Kurt V.
,
Myhre, Rolf H.
,
Neiss, Christian
,
Nielsen, Christian B.
,
Norman, Patrick
,
Olsen, Jeppe
,
Olsen, Jógvan Magnus H.
,
Osted, Anders
,
Packer, Martin J.
,
Pawlowski, Filip
,
Pedersen, Thomas B.
,
Provasi, Patricio F.
,
Reine, Simen
,
Rinkevicius, Zilvinas
,
Ruden, Torgeir A.
,
Ruud, Kenneth
,
Rybkin, Vladimir V.
,
Sałek, Pawel
,
Samson, Claire C. M.
,
de Merás, Alfredo Sánchez
,
Saue, Trond
,
Sauer, Stephan P. A.
,
Schimmelpfennig, Bernd
,
Sneskov, Kristian
,
Steindal, Arnfinn H.
,
Sylvester‐Hvid, Kristian O.
,
Taylor, Peter R.
,
Teale, Andrew M.
,
Tellgren, Erik I.
,
Tew, David P.
,
Thorvaldsen, Andreas J.
,
Thøgersen, Lea
,
Vahtras, Olav
,
Watson, Mark A.
,
Wilson, David J. D.
,
Ziolkowski, Marcin
,
Ågren, Hans
Published in
Wiley interdisciplinary reviews. Computational molecular science
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Nuclear magnetic shielding in the acetylene isotopomers calculated from correlated shielding surfaces
by
Wigglesworth, Richard D.
,
Raynes, William T.
,
Kirpekar, Sheela
,
Oddershede, Jens
,
Sauer, Stephan P. A.
Published in
The Journal of chemical physics
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Spin-orbit corrections to the indirect nuclear spin-spin coupling constants in XH4 (X = C, Si, Ge, and Sn)
by
Kirpekar, Sheela
,
Jensen, Hans Jørgen Aagaard
,
Oddershede, Jens
Published in
Theoretica Chimica Acta
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Correlated calculations of indirect nuclear spin-spin coupling constants for XH4 (X = Si, Ge, and Sn)
by
Kirpekar, Sheela
,
Jensen, Hans Jørgen Aagaard
,
Oddershede, Jens
Published in
Chemical physics
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Calculations of the indirect nuclear spin-spin coupling constants of PbH 4
by
Kirpekar, Sheela
,
Sauer, Stephan P. A.
Published in
Theoretical chemistry accounts
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Erratum: “Nuclear spin–spin coupling in the acetylene isotopomers calculated from ab initio correlated surfaces for J1(C, H), J1(C, C), J2(C, H), and J3(H, H)” [J. Chem. Phys. 112...
by
Wigglesworth, Richard D.
,
Raynes, William T.
,
Kirpekar, Sheela
,
Oddershede, J.
,
Sauer, Stephan P. A.
Published in
The Journal of chemical physics
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Nuclear spin–spin coupling in the acetylene isotopomers calculated from ab initio correlated surfaces for 1 J (C,H), 1 J (C,C), 2 J (C,H), and 3 J (H,H)
by
Wigglesworth, Richard D.
,
Raynes, William T.
,
Kirpekar, Sheela
,
Oddershede, J.
,
Sauer, Stephan P. A.
Published in
The Journal of chemical physics
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Relativistic corrections to molecular dynamic dipole polarizabilities
by
Kirpekar, Sheela
,
Oddershede, Jens
,
Jensen, Hans Jo/rgen Aagaard
Published in
The Journal of chemical physics
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Correlated calculations of indirect nuclear spin-spin coupling constants for XH 4 (X = Si, Ge, and Sn)
by
Kirpekar, Sheela
,
Jensen, Hans Jørgen Aagaard
,
Oddershede, Jens
Published in
Chemical physics
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Article
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The Dalton quantum chemistry program system
by
Aidas, Kestutis
,
Angeli, Celestino
,
Bak, Keld L
,
Bakken, Vebjørn
,
Bast, Radovan
,
Boman, Linus
,
Christiansen, Ove
,
Cimiraglia, Renzo
,
Coriani, Sonja
,
Dahle, Pål
,
Dalskov, Erik K
,
Ekström, Ulf Egil
,
Enevoldsen, Thomas
,
Eriksen, Janus J
,
Ettenhuber, Patrick
,
Fernández, Berta
,
Ferrighi, Lara
,
Fliegl, Heike
,
Frediani, Luca
,
Hald, Kasper
,
Halkier, Asger
,
Hattig, Christof
,
Heiberg, Hanne
,
Helgaker, Trygve
,
Hennum, Alf Christian
,
Hettema, Hinne
,
Hjertenæs, Eirik
,
Høst, Stine
,
Høyvik, Ida Marie
,
Iozzi, Maria Francesca
,
Jansik, Brannislav
,
Jensen, Hans-Jørgen Aa
,
Jonsson, Dan Johan
,
Jørgensen, Poul
,
Kauczor, Johanna
,
Kirpekar, Sheela
,
Kjærgaard, Thomas
,
Klopper, Wim
,
Knecht, Stefan
,
Kobayashi, Rika
,
Koch, Henrik
,
Kongsted, Jacob
,
Krapp, Andreas
,
Kristensen, Kasper
,
Ligabue, Andrea
,
Lutnæs, Ola B
,
Melo, Juan I
,
Mikkelsen, Kurt V
,
Myhre, Rolf Heilemann
,
Neiss, Christian
,
Nielsen, Christian B
,
Norman, Patrick
,
Olsen, Jeppe
,
Olsen, Jogvan Magnus H
,
Osted, Anders
,
Packer, Martin J
,
Pawlowski, Filip
,
Pedersen, Thomas Bondo
,
Provasi, Patricio F
,
Reine, Simen Sommerfelt
,
Rinkevicius, Zilvinas
,
Ruden, Torgeir A
,
Ruud, Kenneth
,
Rybkin, Vladimir V
,
Salek, Pawel
,
Samson, Claire C. M
,
Sanchez de Meras, Alfredo
,
Saue, Trond
,
Sauer, Stephan P. A
,
Schimmelpfennig, Bernd
,
Sneskov, Kristian
,
Steindal, Arnfinn Hykkerud
,
Sylvester-Hvid, Kristian O
,
Taylor, Peter R
,
Teale, Andrew M
,
Tellgren, Erik
,
Tew, David P
,
Thorvaldsen, Andreas J
,
Thøgersen, Lea
,
Vahtras, Olav
,
Watson, Mark A
,
Wilson, David J. D
,
Ziolkowski, Marcin
,
Ågren, Hans
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