Amino Acid Anions in Organic Ionic Compounds. An ab Initio Study of Selected Ion Pairs

A. Benedetto; E. Bodo; L. Gontrani; P. Ballone; R. Caminiti

doi:10.1021/jp412281n

Amino Acid Anions in Organic Ionic Compounds. An ab Initio Study of Selected Ion Pairs

The Journal of Physical Chemistry B ◽

10.1021/jp412281n ◽

2014 ◽

Vol 118 (9) ◽

pp. 2471-2486 ◽

Cited By ~ 35

Author(s):

A. Benedetto ◽

E. Bodo ◽

L. Gontrani ◽

P. Ballone ◽

R. Caminiti

Keyword(s):

Amino Acid ◽

Ab Initio ◽

Ion Pairs ◽

Ab Initio Study ◽

Ionic Compounds

Download Full-text

Dynamic aspects of the stereochemistry of metalated oxime ethers. An ab initio study of the pathways for coordination-isomerization, for syn/anti isomerization, and for racemization of the lithium ion pairs from acetaldoxime

Journal of the American Chemical Society ◽

10.1021/ja00206a005 ◽

1989 ◽

Vol 111 (24) ◽

pp. 8799-8809 ◽

Cited By ~ 8

Author(s):

Rainer Glaser ◽

Andrew Streitwieser

Keyword(s):

Ab Initio ◽

Ion Pairs ◽

Lithium Ion ◽

Ab Initio Study

Download Full-text

Ab Initio Study of Hydrogen-Bond Formation between Aliphatic and Phenolic Hydroxy Groups and Selected Amino Acid Side Chains

The Journal of Physical Chemistry A ◽

10.1021/jp7108847 ◽

2008 ◽

Vol 112 (18) ◽

pp. 4342-4354 ◽

Cited By ~ 14

Author(s):

Peter I. Nagy ◽

Paul W. Erhardt

Keyword(s):

Hydrogen Bond ◽

Amino Acid ◽

Ab Initio ◽

Bond Formation ◽

Side Chains ◽

Ab Initio Study ◽

Hydrogen Bond Formation ◽

Amino Acid Side Chains ◽

Hydroxy Groups ◽

Phenolic Hydroxy

Download Full-text

Ab initio study on the Be2F4, Mg2F4 dimers, on the mixed dimers BeMgF4 and LiNaF2 and on the Li2BeF4, LiBCl4 and LiAlCl4 ion-pairs

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(92)87139-q ◽

1992 ◽

Vol 277 ◽

pp. 171-184 ◽

Cited By ~ 11

Author(s):

F. Ramondo ◽

L. Bencivenni ◽

M. Spoliti

Keyword(s):

Ab Initio ◽

Ion Pairs ◽

Ab Initio Study

Download Full-text

Ab Initio Study of Hydrogen-Bond Formation between Cyclic Ethers and Selected Amino Acid Side Chains

The Journal of Physical Chemistry A ◽

10.1021/jp061113t ◽

2006 ◽

Vol 110 (51) ◽

pp. 13923-13932 ◽

Cited By ~ 9

Author(s):

Peter I. Nagy ◽

Paul W. Erhardt

Keyword(s):

Hydrogen Bond ◽

Amino Acid ◽

Ab Initio ◽

Bond Formation ◽

Cyclic Ethers ◽

Side Chains ◽

Ab Initio Study ◽

Hydrogen Bond Formation ◽

Amino Acid Side Chains

Download Full-text

Ion Pairs in Polymer Electrolytes Revisited: An Ab Initio Study

The Journal of Physical Chemistry A ◽

10.1021/jp0109832 ◽

2001 ◽

Vol 105 (37) ◽

pp. 8504-8509 ◽

Cited By ~ 29

Author(s):

Patrik Johansson ◽

Per Jacobsson

Keyword(s):

Ab Initio ◽

Polymer Electrolytes ◽

Ion Pairs ◽

Ab Initio Study

Download Full-text

ChemInform Abstract: Ab initio Study on the Be2F4, Mg2F4 Dimers, on the Mixed Dimers BeMgF4 and LiNaF2 and on the Li2BeF4, LiBCl4 and LiAlCl4 Ion-Pairs

ChemInform ◽

10.1002/chin.199312001 ◽

2010 ◽

Vol 24 (12) ◽

pp. no-no

Author(s):

F. RAMONDO ◽

L. BENCIVENNI ◽

M. SPOLITI

Keyword(s):

Ab Initio ◽

Ion Pairs ◽

Ab Initio Study

Download Full-text

ChemInform Abstract: Structure of Simplest Boron Hydrides and Carboranes in Ions and Ion Pairs: An ab initio Study.

ChemInform ◽

10.1002/chin.200043002 ◽

2000 ◽

Vol 31 (43) ◽

pp. no-no

Author(s):

R. M. Minyaev

Keyword(s):

Ab Initio ◽

Ion Pairs ◽

Ab Initio Study ◽

Boron Hydrides ◽

Abstract Structure

Download Full-text

Hydrogen Bonding between Amino Acid Backbone and Side Chain Analogues: A High-Level ab Initio Study

Journal of the American Chemical Society ◽

10.1021/ja971836d ◽

1997 ◽

Vol 119 (52) ◽

pp. 12952-12961 ◽

Cited By ~ 39

Author(s):

Kyungsun Kim ◽

Richard A. Friesner

Keyword(s):

Hydrogen Bonding ◽

Amino Acid ◽

Ab Initio ◽

Side Chain ◽

Ab Initio Study ◽

High Level

Download Full-text

Exploration of the full conformational landscapes of gaseous aromatic amino acid phenylalanine: An ab initio study

Journal of Molecular Structure THEOCHEM ◽

10.1016/j.theochem.2005.10.043 ◽

2006 ◽

Vol 758 (2-3) ◽

pp. 195-202 ◽

Cited By ~ 57

Author(s):

Zhijian Huang ◽

Wenbo Yu ◽

Zijing Lin

Keyword(s):

Amino Acid ◽

Ab Initio ◽

Aromatic Amino Acid ◽

Ab Initio Study

Download Full-text

Peptide models XXVII. An e×ploratory ab initio study on the 21st amino acid side-chain conformations of N-formyl-L-selenocysteinamide (For-L-Sec-NH2) and N-acetyl-L-selenocysteine-N-methylamide (Ac-L-Sec-NHMe) in their γL backbone conformation

Canadian Journal of Chemistry ◽

10.1139/cjc-78-3-395 ◽

2000 ◽

Vol 78 (3) ◽

pp. 395-408

Author(s):

Judith C. Vank ◽

Carlos P. Sosa ◽

Andras Perczel ◽

Imre G. Csizmadia

Keyword(s):

Amino Acid ◽

Ab Initio ◽

Side Chain ◽

Amino Acid Side Chain ◽

Ab Initio Study ◽

Backbone Conformation ◽

Peptide Models ◽

Chain Conformations

Download Full-text