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2 research outputs found
A comparison of the hydrogen bond interaction dynamics in the adenine and thymine crystals : BOMD and spectroscopic study
Author
Boczar Marek
Brela Mateusz
+3聽more
Klimas Oskar
Nakajima Takahito
W贸jcik Marek
Publication venue
'Elsevier BV'
Publication date
01/01/2020
Field of study
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Jagiellonian Univeristy Repository
Investigations of the hydrogen bond in the crystals of tropolone and thiotropolone via car鈥恜arrinello and path integral molecular dynamics
Author
Abadir B. J.
Armentano D.
+103聽more
Barret M. C.
Belot J. A.
Belova N. V.
Belova N. V.
Bertolasi V.
Bertolasi V.
Bracamonte A. E.
Bracamonte A. E.
Brela M. Z.
Caminati W.
Car R.
Chowdari B. V. R.
Colomban P H.
Cook J. W.
Corbett R. E.
Datta A.
Dauben H. J.
Destro R.
Dewar M. J. S.
Dopieralski P.
Dopieralski P.
Dovesi R.
Dovesi R.
Durlak P.
Durlak P.
Durlak P.
Durlak P.
Fern谩ndez鈥怰amos A.
Fillaux F.
Fillaux F.
Fillaux F.
Fillaux F.
Gilli G.
Gilli G.
Gilli P.
Gilli P.
Gilli P.
Gilli P.
Gomez鈥怗aribay F.
Grimme S. J.
Grotthuss C. J. T.
Grotthuss C. J. T.
Hayashi T.
Hayes R. L.
Hayes R. L.
Huffman J.
Humphrey W.
Iannuzzi M.
Iannuzzi M.
Iwahara H.
Jeffrey G. A.
Jose D.
Kahn V.
Karab谋y谋k H.
Kawai S.
Kimmel A. V.
Kreuer K.鈥怐.
Li X.
Lundsgaad J. S.
Machiguchi T.
Machiguchi T.
Martyna G. J.
Marx D.
Marx D.
Monkhorst H. J.
More R.
Moussy F.
Murdock D.
Nagarkar S. S.
Nakai H.
Olivieri A. C.
Padalkar V. S.
Paine S. W.
Panek J. J.
Pauson P. L.
Peintinger M. F.
Perdew J. P.
Perdew J. P.
Pittracher M.
Rostkowska H.
Rub膷i膰 M.
Sanz P.
Sekiya H.
Shimanouchi H.
Silvernail C. M.
Stevens J. S.
Takegoshi K.
Troullier N.
Tuckerman M.
Tuckerman M. E.
Valero E.
Verner M. V.
Wang W.
Wetz F.
White J. W.
Williams R. J. P.
Woerner M.
W贸jcik M. J.
W贸jcik M. J.
W贸jcik M. J.
Zarycz N.
Zawodzinski T. A.
Zhao X.
Publication venue
'Wiley'
Publication date
Field of study
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