3 research outputs found
Molecular dynamics simulations of vibrational spectra of hydrogen-bonded systems
- Author
- A Eilmes
- A Jezierska
- A Mondal
- A Payaka
- A Warshel
- A Warshel
- A Warshel
- A Witkowski
- AL Sobolewski
- AL Sobolewski
- AM Yaremko
- AN Manin
- B Kuhn
- C Sandorfy
- C Sandorfy
- D Janezic
- D Marx
- D Marx
- D Marx
- D Shemesh
- DT Major
- E Pluha艡ov谩
- E Pluha艡ov谩
- ES Fois
- FH Westheimer
- G Jindal
- G Pirc
- GG Balintkurti
- GH Wannier
- H Ratajczak
- H Wang
- HT Flakus
- I Sumner
- I-FW Kuo
- J Bigeleisen
- J Gao
- J Mavri
- J Stare
- J Stare
- J Stare
- J VandeVondele
- JA Smiley
- JD Watson
- JJ Panek
- JP Klinman
- K Laasonen
- K Laasonen
- K Laasonen
- K Laasonen
- K Mackeprang
- L Melander
- M Boczar
- M Boczar
- M Boczar
- M Boczar
- M Boczar
- M Boczar
- M Born
- M Brela
- M Brela
- M G艂ug
- M Krack
- M Pagliai
- M Spfik
- M Thomas
- M Wojcik
- ME Brown
- MJ Iedema
- MJ Wojcik
- MJ Wojcik
- MJ Wojcik
- MJ Wojcik
- MJ Wojcik
- MJ W贸jcik
- MJ W贸jcik
- MJ W贸jcik
- MJ W贸jcik
- MJ W贸jcik
- MZ Brela
- MZ Brela
- MZ Brela
- N Sieffert
- O Henri-Rousseau
- O Henri-Rousseau
- P Dopieralski
- P Dopieralski
- P Dopieralski
- P Dopieralski
- P Durlak
- P Durlak
- R Car
- R Elber
- Randall T Cygan
- S Brato啪
- S Dapprich
- S Grabowski
- S Park
- S Perun
- S Yamamoto
- T Anh Pham
- T Schultz
- T Vreven
- T Vreven
- VV Zhurov
- W Lin
- WD Price
- X Li
- Y Ozaki
- Y Ozaki
- Y Ozaki
- Y Wu
- Y Zhao
- Z Lan
- Z Lan
- ZD Nagel
- Publication venue
- 'Springer Science and Business Media LLC'
- Publication date
- 01/01/2018
- Field of study
ETS-NOCV decomposition of the reaction force for double-proton transfer in formamide-derived systems
- Author
- A Michalak
- A Toro-Labb茅
- A Toro-Labb茅
- A Toro-Labb茅
- A Toro-Labb茅
- AD Becke
- Artur Michalak
- C Fonseca Guerra
- C Lee
- D Yepes
- F 艩ebesta
- FM Bickelhaupt
- G Velde te
- GT Jong de
- JC Hargis
- JV Burda
- M Mitoraj
- MA Bochove van
- Mateusz Z. Brela
- MP Mitoraj
- MP Mitoraj
- P Jaque
- P Politzer
- P Politzer
- P Politzer
- Piotr Talaga
- PJ Stephens
- R Inostroza-Rivera
- S D铆az
- T Ziegler
- T Ziegler
- T Ziegler
- Publication venue
- 'Springer Science and Business Media LLC'
- Publication date
- Field of study
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.
- 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