The Proton Affinities of Imines and the Heats of Formation of Immonium Ions Investigated with Composite ab Initio Methods

1999 ◽  
Vol 121 (25) ◽  
pp. 6002-6009 ◽  
Author(s):  
Steen Hammerum ◽  
Theis I. Sølling
Keyword(s):  
Ab Initio ◽  
Heats Of Formation ◽  
Ab Initio Methods ◽  
Proton Affinities ◽  
Immonium Ions

Heats of formation of organic molecules by ab initio methods: Thiaalkanes

1992 ◽  
Vol 3 (1) ◽  
pp. 69-72 ◽  
Author(s):  
Norman L. Allinger ◽  
Linrong Yang ◽  
Ioan Motoc ◽  
Charles Bender ◽  
Jan K. Labanowski
Keyword(s):  
Ab Initio ◽  
Organic Molecules ◽  
Heats Of Formation ◽  
Ab Initio Methods

RELATIVISTIC EFFECTS IN THE CALCULATION OF OSCILLATOR STRENGTHS : "AB INITIO" METHODS

1979 ◽  
Vol 40 (C1) ◽  
pp. C1-109-C1-114
Author(s):  
J. P. Desclaux
Keyword(s):  
Ab Initio ◽  
Relativistic Effects ◽  
Oscillator Strengths ◽  
Ab Initio Methods

Determination of acidic dissociation constants of L-phenylalanyl-glycine and L-alanyl-L-alanine in water using ab initio methods

2014 ◽  
Vol 2 (42) ◽  
pp. 263-263
Author(s):  
Farhoush Kiani ◽  
Mahmoud Tajbakhsh ◽  
Fereydoon Ashrafi ◽  
Nesa Shafiei ◽  
Azar Bahadori ◽  
...  
Keyword(s):  
Ab Initio ◽  
Dissociation Constants ◽  
Ab Initio Methods ◽  
Acidic Dissociation

Study of the structure and stability of aqua ions La(H2O) n 3+ (n = 8, 9) by ab initio methods

2008 ◽  
Vol 53 (8) ◽  
pp. 1249-1255 ◽  
Author(s):  
V. Yu. Buz’ko ◽  
I. V. Sukhno ◽  
M. B. Buz’ko ◽  
A. A. Polushin ◽  
V. T. Panyushkin
Keyword(s):  
Ab Initio ◽  
Ab Initio Methods ◽  
Structure And Stability

Heats of Formation of Alkali Metal and Alkaline Earth Metal Oxides and Hydroxides:  Surprisingly Demanding Targets for High-Level ab Initio Procedures

2003 ◽  
Vol 107 (29) ◽  
pp. 5617-5630 ◽  
Author(s):  
Michael B. Sullivan ◽  
Mark A. Iron ◽  
Paul C. Redfern ◽  
Jan M. L. Martin ◽  
Larry A. Curtiss ◽  
...  
Keyword(s):  
Alkali Metal ◽  
Metal Oxides ◽  
Ab Initio ◽  
Alkaline Earth ◽  
Earth Metal ◽  
Heats Of Formation ◽  
Alkaline Earth Metal ◽  
Alkaline Earth Metal Oxides ◽  
High Level

ChemInform Abstract: Ab initio Heats of Formation of Medium-Sized Hydrocarbons. Part 7. The (n)Prismanes

ChemInform ◽  
1988 ◽  
Vol 19 (29) ◽  
Author(s):  
R. L. DISCH ◽  
J. M. SCHULMAN
Keyword(s):  
Ab Initio ◽  
Heats Of Formation

Organic Thermochemistry at High ab Initio Levels. 2. Meeting the Challenge:  Standard Heats of Formation of Gaseous Norbornane, 2-Norbornene, 2,5-Norbornadiene, Cubane, and Adamantane at the G2 Level

1999 ◽  
Vol 64 (25) ◽  
pp. 9015-9018 ◽  
Author(s):  
O. Castaño ◽  
R. Notario ◽  
J.-L. M. Abboud ◽  
R. Gomperts ◽  
R. Palmeiro ◽  
...  
Keyword(s):  
Ab Initio ◽  
Heats Of Formation
Sign in / Sign up

Export Citation Format

Share Document