9 research outputs found
DFT/NBO study of Nanotube and Calixarene with anti-cancer drug
- Author
- A Frisch
- AC de Dios
- B Miehlich
- BJ Taft
- CD Gutsche
- CS Yan
- CW Pouton
- D Guo
- D Pantarotto
- ED Glendening
- F Gharib
- F Gharib
- F Gharib
- G Pastorin
- GN Cornell
- J Tirado-Rives
- JAJ Brunink
- JF Colomer
- JG Zeevaart
- KI Ramachandran
- L Fernandez
- LB Casabianca
- M Abul Haider Shipar
- M Dolg
- M Faraji
- M Monajjemi
- MJ Frisch
- N Dalili
- N Wong Shi Kam
- N Wong Shi Kam
- O Gungor
- O Moradi
- R Singh
- RP Whitehead
- S Iijima
- S Kalele
- S Shirakawa
- VB Delchev
- YJ Zhang
- YL Liu
- Z Asfari
- Publication venue
- 'Springer Science and Business Media LLC'
- Publication date
- Field of study
Get PDFExcited-state deactivation of the monohydrated complexes of cytosine, uracil, and thymine through S0/S1 conical intersections
- Author
- A Kaito
- AL Sobolewski
- AR Reuther
- B Chmura
- C Canuel
- C Hättig
- CE Crespo-Hernandez
- CM Marian
- D Voet
- E Epifanovsky
- F Zaloudek
- GA Jeffrey
- GS Parry
- H Morita
- Ivan G. Shterev
- K Raksany
- KA Kistler
- LB Clark
- M Spencer
- MH Daniels
- MK Shukla
- PR Callis
- R Ahlrichs
- S Furberg
- S Matsika
- S Matsika
- T Yamada
- Vassil B. Delchev
- VB Delchev
- VB Delchev
- WC Johnson Jr
- Publication venue
- 'Springer Science and Business Media LLC'
- Publication date
- Field of study
Full text linkTheoretical investigation (DFT and MP2) of the intermolecular proton transfer in the supersystems uracil-(H2O) n and uracil-(CH3OH) n (n = 1, 2)
- Author
- A Müller
- AM Mebel
- E Nir
- ES Kryachko
- F Piuzzi
- G Portalone
- GS Hammond
- GS Parry
- Hans Mikosch
- IG Shterev
- Ivan G. Shterev
- J Gu
- J Leszczynski
- J Poznanski
- JE Leffler
- M Kabeláč
- M Mons
- MA Lill
- MJ Frisch
- MJ Nowak
- MW Schmidt
- P Cysewski
- P Hobza
- P Hobza
- Pü Civcir
- R Knippers
- RF Stewart
- S Simon
- SF Boys
- SJ Sowerby
- T van Mourik
- T van Mourik
- T van Mourik
- Vassil B. Delchev
- VB Delchev
- VB Delchev
- X Bao
- X Li
- X Li
- Z Latajka
- Publication venue
- 'Springer Science and Business Media LLC'
- Publication date
- Field of study
Full text linkTheoretical investigation of the intermolecular H-bonding and proton transfer in cytosine assisted by water and methanol
- Author
- Publication venue
- 'Springer Science and Business Media LLC'
- Publication date
- Field of study
Full text linkPhotoinduced phenomena in water solution of melamine explaining the photostability of the compound
- Author
- AL Sobolewski
- AL Sobolewski
- B Chmura
- C Adamo
- C Menor-Salván
- CG Triandafillou
- CS Cockell
- D Jacquemin
- D Roca-Sanjuan
- EA Perpete
- EP Yankov
- G Zechmann
- I Cnossen
- IG Shterev
- J Segarra-Martí
- L Serrano-Andres
- M Barbatti
- M Merchan
- M Prabhaharan
- MA Trachsel
- MK Shukla
- N Minezawa
- P Kancheva
- R Szabla
- RI Bakalska
- S Matsika
- S Matsika
- VB Delchev
- Y He
- Y Zhang
- Y-C Lin
- Publication venue
- 'Springer Science and Business Media LLC'
- Publication date
- Field of study
Full text linkA computational study on the potential application of yne-BN monolayer for selective detection of NO and CO gases
- Author
- A Dutta
- A El-Barbary
- A Omidvar
- A Shokuhi Rad
- AA Peyghan
- AA Peyghan
- AM El-Mahdy
- B Bhattacharya
- B Kaewruksa
- B Liang
- D Li
- D-D Lee
- E Babanezhad
- F Gharibzadeh
- G Hartmann
- H Yamaura
- H Yan
- I Baikie
- J Beheshtian
- J Beheshtian
- J Beheshtian
- K Krishnaveni
- M Asadpour
- M Eslami
- M Kamel
- M Khaleghi Abbasabadi
- M Samadizadeh
- M Zhi
- MT Baei
- MW Schmidt
- N Hellgren
- N Narita
- N O’Boyle
- N Yamazoe
- O Richardson
- R Rostamoghli
- R Wei
- RB dos Santos
- S Grimme
- S Mohammadi
- S Radenković
- S Stegmeier
- SF Boys
- SW Cranford
- VB Delchev
- X Chen
- Y Zhang
- Z Yang
- Publication venue
- 'Springer Science and Business Media LLC'
- Publication date
- Field of study
Full text linkExcited state processes in protonated molecules studied by frequency-domain spectroscopy
- Author
- AF Cruz-Ortiz
- AL Sobolewski
- Aleksandra V. Zabuga
- BC Dian
- BS Freiser
- BS Freiser
- C Dedonder-Lardeux
- C Marian
- Claude Dedonder
- CM Choi
- CS Hansen
- D Nolting
- D Nolting
- EJ Bieske
- F Fuke
- F-X Hardy
- FO Talbot
- G Féraud
- G Féraud
- G Féraud
- G Grégoire
- G Grégoire
- G Grégoire
- GA Pino
- GA Pino
- H Kang
- H Kang
- H Kang
- H Kang
- H Kang
- H Lippert
- H Xia
- I Alata
- I Alata
- I Alata
- I Alata
- I Alata
- I Garkusha
- I Garkusha
- I Garkusha
- JA Noble
- JA Noble
- JA Noble
- JA Sebree
- JA Stearns
- JG Redwine
- JU Andersen
- JY Baek
- M Berdakin
- M Broquier
- M Broquier
- M Broquier
- MF Rode
- MGD Nix
- N Esteves-López
- NC Polfer
- NC Polfer
- NJ Kim
- O Krechkivska
- O Krechkivska
- OV Boyarkin
- R Flammang
- R Livingstone
- RN Dixon
- S Chakrabarty
- S Chakraborty
- S Ishiuchi
- S Soorkia
- S Soorkia
- SR Mercier
- SØ Pedersen
- TR Rizzo
- V Kopysov
- V Lepere
- V Lepere
- VB Delchev
- Publication venue
- 'Springer Science and Business Media LLC'
- Publication date
- 01/01/2019
- Field of study
Full text linkInternational audienc
Excitation of Nucleobases from a Computational Perspective I: Reaction Paths
- Author
- A Broo
- A Farazdel
- A Giussani
- A Holmén
- A Nakayama
- AA Granovsky
- AL Sobolewski
- AL Sobolewski
- AN Alexandrova
- B Mennucci
- BO Roos
- BO Roos
- BO Roos
- C Canuel
- C Gonzalez
- C Santhosh
- CE Crespo-Hernández
- CM Marian
- CM Marian
- CM Marian
- CT Middleton
- D Asturiol
- D Asturiol
- D Nachtigallová
- D Roca-Sanjuán
- D Roca-Sanjuán
- D Roca-Sanjuán
- D Roca-Sanjuán
- DG Truhlar
- DR Yarkony
- DR Yarkony
- DR Yarkony
- DR Yarkony
- E Fabiano
- E Samoylova
- EC Friedberg
- F Aquilante
- F Aquilante
- G Ghigo
- G Zechmann
- H Chen
- H Chen
- H Kang
- H Köppel
- H Lischka
- H Satzger
- H Satzger
- H-J Werner
- HB Schlegel
- HJ Werner
- HR Hudock
- HR Hudock
- I Conti
- IN Ragazos
- J Almlöf
- J Finley
- J González-Vázquez
- J Lorentzon
- J Michl
- JB Foresman
- JJ Serrano-Pérez
- JJ Szymczak
- JM Anglada
- K Andersson
- K Andersson
- K Fukui
- K Imakubo
- K Kleinermanns
- K Müller
- K Pierloot
- K Tomić
- KA Kistler
- KA Kistler
- KP Lawley
- L Blancafort
- L Blancafort
- L Blancafort
- L Blancafort
- L González
- L González
- L Serrano-Andrés
- L Serrano-Andrés
- L Serrano-Andrés
- L Serrano-Andrés
- L Serrano-Andrés
- L Serrano-Andrés
- L Serrano-Andrés
- L Serrano-Andrés
- L Serrano-Andrés
- L Serrano-Andrés
- L Vico De
- M Barbatti
- M Barbatti
- M Barbatti
- M Barbatti
- M Etinski
- M Garavelli
- M Klessinger
- M Klessinger
- M Kotur
- M Merchán
- M Merchán
- M Merchán
- M Merchán
- M Merchán
- M Olivucci
- M Olivucci
- M Richter
- M Rubio
- M Rubio
- M Rubio
- M Schreiber
- MA Robb
- MA Robb
- MJ Bearpark
- MK Shukla
- MR Manaa
- MR Silva-Junior
- MZ Zgierski
- MZ Zgierski
- MZ Zgierski
- MZ Zgierski
- MZ Zgierski
- N Ismail
- N Koga
- P Szerenyi
- PG Szalay
- PO Widmark
- R Arce
- R Crespo
- R González-Luque
- R Mitrić
- RJ Buenker
- S Gozem
- S Lobsiger
- S Matsika
- S Matsika
- S Perun
- S Perun
- S Perun
- S Ullrich
- S Ullrich
- S Yamazaki
- S Yamazaki
- SB Nielsen
- T Climent
- T Fleig
- T Gustavsson
- T Gustavsson
- T Shiozaki
- VB Delchev
- W Fuß
- Y Lei
- Y Mercier
- Y-J Liu
- Z Lan
- ZG Lan
- Publication venue
- 'Springer Science and Business Media LLC'
- Publication date
- Field of study
Full text linkModified Nucleobases
- Author
- A Abo-Riziq
- A Dierckx
- A Dreuw
- A Dreuw
- A Farazdel
- A Lange
- A Nadler
- AA Tanpure
- AL Sobolewski
- AL Sobolewski
- AW Jasper
- B Cohen
- B Crews
- B Holzberger
- BG Levine
- C Ciminelli
- C Wan
- CA Kenfack
- CE Crespo-Hernandez
- CE Crespo-Hernandez
- CE Crespo-Hernandez
- CM Marian
- CM Marian
- CS Cockell
- CT Middleton
- D Nachtigallova
- DA Berry
- DC Ward
- DN Kaluzhny
- DR Yarkony
- DR Yarkony
- DR Yarkony
- DR Yarkony
- DR Yarkony
- E Mburu
- E Nir
- E Nir
- E Teller
- EL Rachofsky
- ET Kool
- F Bernardi
- F Bernardi
- F Santoro
- F Santoro
- F Wojciechowski
- G Cui
- G Kodali
- G Ryseck
- GJ Atchity
- H Chen
- H Kuramochi
- H Vranken
- HR Hudock
- I Buchvarov
- IMF Seela
- IN Ragazos
- J Chen
- J Liang
- J Liang
- J Liang
- J Neumann von
- J Peon
- J Wierzchowski
- J-W Ho
- JM Anglada
- JM Jean
- JM Jean
- JN Wilson
- JP Gobbo
- JP Gobbo
- JP Villabona-Monsalve
- JR Lakowicz
- K Börjesson
- K Feng
- K Röttger
- K-Y Lin
- KA Kistler
- KA Kistler
- KA Kistler
- KA Kistler
- KA Seefeld
- KB Hall
- KC Engman
- KC Thompson
- L Blancafort
- L Serrano-Andres
- L Serrano-Andres
- L Serrano-Andrés
- L Serrano-Andrés
- L Vico De
- LE Orgel
- LM Wilhelmsson
- LM Wilhelmsson
- M Barbatti
- M Barbatti
- M Daniels
- M Gedik
- M Gedik
- M Levy
- M Merchán
- M Mons
- M Narayanan
- M Rist
- M Shukla
- M Shukla
- M Shukla
- M Shukla
- M Shukla
- MA O’Neill
- ME Hawkins
- ME Hawkins
- MJ Bearpark
- MJ Nowak
- MP Callahan
- MP Callahan
- MR Manaa
- MZ Zgierski
- MZ Zgierski
- MZ Zgierski
- MZ Zgierski
- MZ Zgierski
- MZ Zgierski
- MZ Zgierski
- N Ismail
- N Koga
- NA Grigorenko
- NB Gaied
- NJ Leonard
- O Larsen
- OJG Somsen
- P Beak
- P Ehrenfreund
- P Lang
- P Sandin
- PA Limbach
- PK Samanta
- PR Callis
- R Shapiro
- RD Shin
- RHE Hudson
- RI Bakalska
- RJ Malone
- RW Sinkeldam
- S Budowa
- S Lobsiger
- S Lobsiger
- S Matsika
- S Muellar
- S Perun
- S Perun
- S Preus
- S Preus
- S Yamazaki
- S Yamazaki
- S Yuan
- S Zilberg
- SG Laland
- SJO Hardman
- SJO Hardman
- SJO Hardman
- SO Kelley
- SS Bag
- T Fiebig
- T Gustavsson
- T Gustavsson
- T Gustavsson
- T Gustavsson
- T Gustavsson
- T Kobayashi
- T Kobayashi
- TA Barckholtz
- TJ Matray
- TM Krygowski
- U Asseline
- V Ludwig
- VB Delchev
- W Domcke
- W-M Kwok
- X Guo
- Y Harada
- Y Mercier
- Y Tor
- Y Wang
- Y Wang
- Y Zhao
- Z Gengeliczki
- Publication venue
- 'Springer Science and Business Media LLC'
- Publication date
- Field of study
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