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3 research outputs found
Polarizability, hardness and electrophilicity as global descriptors for intramolecular proton transfer reaction path
Author
Ash
Ash
+47Â more
Avilov
Ayers
Becke
Beg
Bose
Catalan
Catalan
Catalan
Catalan
Cfirdenas-Jiront
Chamorro
Chattaraj
Chattaraj
Chou
Datta
Datta
De
De
De
De Luca
do Monte
Douhal
Dreuw
Ercelen
Ghanty
Guharay
Keck
Klymchenko
Klymchenko
Lee
Maheshwari
Mandal
Martinej
Mineva
Mineva
Parr
Parr
Pearson
Pearson
Pearson
Sengupta
Shynkar
Sicilia
Sobolewski
Thomas
Tobita
Weller
Publication venue
'Elsevier BV'
Publication date
Field of study
No full text
Crossref
Use of polarizability and chemical hardness to locate the transition state and the potential energy curve for double proton transfer reaction: A DFT based study
Author
Affsprung
Ash
+53Â more
Ayers
Becke
Brzezinski
Cfirdenas-Jiront
Chandra
Chattaraj
Chattaraj
Chattaraj
Clays
Cramer
Das
De
De
Eigen
Frisch
Ghanty
Gritsenko
Hammond
Han
Hariharan
Herrera
Hobza
Hopmann
Jaque
Jeffrey
Jorgensen
Josefiak
Karamanis
Kendrew
Klotz
Kobayashi
Krikorian
Krishtalik
Lagana
Lee
Maroulis
Maroulis
Melander
Parr
Parr
Pearson
Pearson
Pearson
Scheiner
Schultz
Searle
Sengupta
Susi
Susi
van Gisbergen
van Gisbergen
Walmsley
Wang
Publication venue
'Elsevier BV'
Publication date
Field of study
No full text
Crossref
Computation of polarizability, hyper-polarizability and hardness as descriptor for enol–keto tautomerizations of 2-hydroxy pyridines
Author
Abdoul-Carime
Ash
+56Â more
Bacchus-Montabonel
Beak
Becke
Beg
Beg
Boudaïffa
Brunken
Cfirdenas-Jiront
Chamorro
Chattaraj
Chattaraj
Choi
De
De Luca
Dong
Frey
Frey
Frisch
Fu
Ghanty
Hariharan
Hazra
Kanis
Karamanis
Lee
Levesque
Li
Lopez
Lowdin
Mahler
Maroulis
Matsuda
Michelson
Mineva
Mineva
Mineva
Mozejko
Muller
Muller
Nimlos
Nir
Oudar
Parr
Parr
Parr
Parthasarathi
Pearson
Rabuck
Roscioli
Russo
Sanche
Sengupta
Tanjaroon
Tsuchida
Vaquero
Wang
Publication venue
'Elsevier BV'
Publication date
Field of study
No full text
Crossref