Ab initio, quantum chemical analysis of noncovalent interactions between peptides as modeled by dimers and a trimer of formamide

1980 ◽  
Vol 102 (12) ◽  
pp. 4051-4056 ◽  
Author(s):  
Ernest L. Mehler
Keyword(s):  
Chemical Analysis ◽  
Ab Initio ◽  
Quantum Chemical ◽  
Noncovalent Interactions ◽  
Quantum Chemical Analysis

Ab initio quantum chemical analysis of Schiff base-water interactions in bacteriorhodopsin

1993 ◽  
Vol 286 ◽  
pp. 231-245 ◽  
Author(s):  
M. Nina ◽  
J.C. Smith ◽  
B. Roux
Keyword(s):  
Schiff Base ◽  
Chemical Analysis ◽  
Ab Initio ◽  
Quantum Chemical ◽  
Quantum Chemical Analysis

Conceptual Quantum Chemical Analysis of Bonding and Noncovalent Interactions in the Formation of Frustrated Lewis Pairs

2015 ◽  
Vol 21 (14) ◽  
pp. 5510-5519 ◽  
Author(s):  
Gabriella Skara ◽  
Balazs Pinter ◽  
Jens Top ◽  
Paul Geerlings ◽  
Frank De Proft ◽  
...  
Keyword(s):  
Chemical Analysis ◽  
Quantum Chemical ◽  
Noncovalent Interactions ◽  
Frustrated Lewis Pairs ◽  
Quantum Chemical Analysis ◽  
Lewis Pairs

Methylthiol adsorption on GaAs(100)-(2 × 4) surface: Ab initio quantum-chemical analysis

2008 ◽  
Vol 42 (9) ◽  
pp. 1048-1054 ◽  
Author(s):  
M. V. Lebedev
Keyword(s):  
Chemical Analysis ◽  
Ab Initio ◽  
Quantum Chemical ◽  
Quantum Chemical Analysis

Quantum Chemical Analysis and Experimental Study of the Cycloaddition Reaction between Aminoacetylenes and 6-Nitroindolizines. NMR and ab Initio Evidence for the [4+2] Adduct Formation

1999 ◽  
Vol 64 (25) ◽  
pp. 9057-9062 ◽  
Author(s):  
Eugene V. Babaev ◽  
Vahan V. Simonyan ◽  
Konstantin Yu. Pasichnichenko ◽  
Valentina M. Nosova ◽  
Alexander V. Kisin ◽  
...  
Keyword(s):  
Experimental Study ◽  
Chemical Analysis ◽  
Ab Initio ◽  
Quantum Chemical ◽  
Cycloaddition Reaction ◽  
Adduct Formation ◽  
Quantum Chemical Analysis

scholarly journals Quantum-Chemical Analysis of Hetacillin Molecule via DFT and AB INITIO Methods

2020 ◽  
Author(s):  
V.A. Babkin ◽  
A.V. Ignatov ◽  
M.V. Reshetnikova ◽  
D.S. Andreev ◽  
A.N. Liberovskaya ◽  
...  
Keyword(s):  
Chemical Analysis ◽  
Ab Initio ◽  
Quantum Chemical ◽  
Ab Initio Methods ◽  
Quantum Chemical Analysis
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