CORE
🇺🇦
make metadata, not war
Services
Services overview
Explore all CORE services
Access to raw data
API
Dataset
FastSync
Content discovery
Recommender
Discovery
OAI identifiers
OAI Resolver
Managing content
Dashboard
Bespoke contracts
Consultancy services
Support us
Support us
Membership
Sponsorship
Community governance
Advisory Board
Board of supporters
Research network
About
About us
Our mission
Team
Blog
FAQs
Contact us
Filters
12 research outputs found
Consecutive non-natural PZ nucleobase pairs in DNA impact helical structure as seen in 50 μs molecular dynamics simulations
Author
Gaussian 09 Revision E.01
Gaussview 2009
+3 more
Millie M. Georgiadis
Nigel G.J. Richards
Robert W. Molt
Publication venue
'Oxford University Press (OUP)'
Publication date
Field of study
No full text
Crossref
A toolkit to assist ONIOM calculations
Author
Alzate-Morales
Bakowies
+27 more
Bayly
Case
Cornell
DeLano Scientific
Friesner
Frisch
Gao
GaussView version 5
Hall
Hu
Humphrey
Kwiecien
Li
Li
Lin
Lundberg
Monard
Portmann
Schaftenaar
Senn
Srivab
Suresh
Svensson
Tao
Tao
Vreven
Wang
Publication venue
'Wiley'
Publication date
01/01/2010
Field of study
No full text
Crossref
Design, synthesis, and evaluation of “dual-site”-binding diarylpyrimidines targeting both NNIBP and the NNRTI adjacent site of the HIV-1 reverse transcriptase
Author
Bauman
Becke
+29 more
Biovia
Carroll
Case
Case
De Clercq
Du
Frisch
GaussView
Huo
Jin
Kamil
Kang
Kang
Kang
Kang
Lansdon
Liu
Namasivayam
Pannecouque
Pauwels
Pettersen
Suzuki
Tian
Wang
Wang
Wu
Ylilauri
Zhan
Zhang
Publication venue
'Elsevier BV'
Publication date
Field of study
No full text
Crossref
A computational study of the molecular and crystal structure and selected physical properties of octahydridosilasequioxane, (Si 2
Author
Adams D. M.
Bilinski H.
+9 more
Birchall J. D.
Foresman J. B.
Frisch M. J.
GaussView: Version 4.1.
Hirst D. M.
MedeA.
Schutte C. J. H.
Schutte C. J. H.
Seddon D.
Publication venue
'The Royal Society'
Publication date
Field of study
No full text
Crossref
Synthesis and pharmacological properties of 3-(2-methyl-furan-3-yl)-4-substituted-Δ2-1,2,4-triazoline-5-thiones
Author
Akbarzadeh
Aron
+34 more
Banachiewicz
Becke
Becke
Boissier
Breneman
Carroll
Chiu
Chu
Corne
De La Rosa
Deeb
Demirayak
Francl
GaussView
Hariharan
Holla
Hui
Ikizler
Kwiecień
Malmström
Meotti
Miertus
Misra
Pastorin
Perdew
Porsolt
Schramm
Shivarama Holla
Sun
Tozkoparan
Witkin
Wujec
Zitouni
Åkerblom
Publication venue
'Walter de Gruyter GmbH'
Publication date
Field of study
No full text
Crossref
Bistability of an iron‐cobalt binuclear complex
Author
Athanassios C. T.
Bertheier S.
+22 more
Bowman J. M.
Brady C.
Cambi L.
Frisch M. J.
GaussView 03
Gross E.
Herrera M.
Liu G.
Matsumoto T.
Mondal D.
Mujica V.
Nakamoto T.
Nitzan A.
Patra B.
Saitoa K.
Sessoli R.
Shepherd J. H.
Shirani H.
Szoti K.
Ying‐Ji S.
Yu C.
Zhang J.
Publication venue
'Wiley'
Publication date
Field of study
No full text
Crossref
Syntheses and X-ray crystal structures combined with conformational and Hirshfeld analyses of chalcones based on a cyclohexanone scaffold
Author
Abbas
Abbas
+47 more
Abdullah Mohammed Al-Majid
Ahmed
Anam
Assem Barakat
Bandga
Bauernschmitt
Braun
Bruker
Bukhari
El Sayed H. El Ashry
El Sayed H. El Tamany
Frisch
GaussView Version 4.1
Gehad Lotfy
Glendening
Go
Gomes
Hazem A. Ghabbour
Jamorski
Katsori
Kumar
Liu
Lotfy
Lotfy
Lotfy
Mahdavinia
Mohamed M. Said
Murtaza
Naseer
Ni
O'Boyle
Petersilka
Prasad
Riaz
Rocha
Rueping
Sahu
Saied M. Soliman
Sheldrick
Spek
Sunduru
Tatsuzaki
Tiwari
Vatsadze
Wang
Yasmine M. Abdel Aziz
Yun
Publication venue
'Elsevier BV'
Publication date
Field of study
No full text
Crossref
Synthesis and spectral studies on Cd(II) dithiocarbamate complexes and their use as precursors for CdS nanoparticles
Author
Altaf
Bessergenev
+69 more
Bonati
Casa
Chandran Udhaya Kumar
Chauhan
Chennan Ramalingan
Chunggaze
Cox
Devendran
Ethiraj Sathiyaraj
Farrugia
Fleming
Fries
Frisch
Fujii
GaussView
Hassan
Havel
Heard
Hogarth
Hogarth
Issaoui
Jamuna Rani
Kannan Gokula Krishnan
King
Krishnaraj Padmavathy
Lazell
Lo
Luque
Mahadevan
Malik
Martin
McCleverty
Mthethwa
Nieuwenhuizen
Nyamen
Nyamen
O'Brien
O'Brien
O'Brien
Okulik
Ozturk
Pawar
Pawar
Pickette
Raja
Ramasamy
Ravikumar
Regulacio
Saravanan
Sathiyaraj
Sathiyaraj
Sathiyaraj
Schuler
Scrocco
Shaheen
Sheldrick
Sheldrick
Srinivasan
Srinivasan
Sudhagara
Sun
Tokatlı
Travnicek
Weissmahr
Yan
Yan
Zemskova
Zhang
Çetin
Publication venue
'Elsevier BV'
Publication date
Field of study
No full text
Crossref
Probing the Acetylcholinesterase Inhibition of Sarin: A Comparative Interaction Study of the Inhibitor and Acetylcholine with a Model Enzyme Cavity
Author
Achüürmann G.
Ariel N.
+48 more
Barone V.
Becke A. D.
Benchop H. P.
Bencsura A.
Boys S. F.
Casida J. E.
Deakyne C. A.
Duffy E. M.
Ekström F.
Frisch M. J.
Gallivan J. P.
GaussView
Harel M.
Harel M.
Hill C. G.
Hosea W. A.
Jennings L. L.
Kaplan I. G.
Lee C.
Ma J. C.
Malany S.
Maseras F.
Masson P.
Michel H. O.
Millard C. B.
Minoux H.
Møller C.
Nachon F.
Ordenlich A.
Ordentlich A.
Ordentlich A.
Ordentlich A.
Parr R. G.
Pullman A.
Rump S.
Schaftenaar G.
Schmidt M. W.
Segall Y.
Sokalski W. A.
Sudmier J. L.
Sussman J. L.
Taylor
Taylor P.
Toy A. D.
Vosko S. H.
Vreven T.
Vreven T.
Wlodek S. T.
Publication venue
'American Chemical Society (ACS)'
Publication date
Field of study
No full text
Crossref
Solvent Effects on the Thioamide Rotational Barrier: An Experimental and Theoretical Study
Author
Ammann C.
Atkins P. W.
+49 more
Bader R. W. F.
Bain A. D.
Basch H.
Breneman C. M.
Cooley J. W.
Curtiss L. A.
Dahlquist F. W.
Foresman J. B.
Frisch M. J.
Fukuii K.
Gaussview 0
Glendenning E. D.
Greenberg A.
Hansen E. L.
Hiberty P. C.
Hougen J. T.
Janz G. J.
Johnson B. R.
Johnson B. R.
Kim W.
Laane J.
Laane J.
Laidig K. E.
Lauvergnat D.
Marquardt D. W.
Neugebauer C. S. M.
Onsager L.
Perng B. C.
Perrin C. L.
Perrin C. L.
Pople J. A.
Press W. H.
Rabinovitz M.
Raos G.
Reed A. E.
Ross B. D.
Rush D. J.
Spirko V.
The
Vassilev N. G.
Volkov A.
Wiberg K.
Wiberg K. B.
Wiberg K. B.
Wiberg K. B.
Wiberg K. B.
Wiberg K. B.
Wiberg K. B.
Wilson E. B.
Publication venue
'American Chemical Society (ACS)'
Publication date
Field of study
No full text
Crossref
1
2