/ Catalysis: K. Severin / Theoretical Chemistry: K. N. Houk / Organic Chemistry: B. L. Feringa

2006 ◽  
Vol 45 (8) ◽  
pp. 1182-1182
Keyword(s):  
Organic Chemistry ◽  
Theoretical Chemistry

ChemInform Abstract: Physical Organic Chemistry of Solid Acids: Lessons from in situ NMR and Theoretical Chemistry

ChemInform ◽  
2010 ◽  
Vol 27 (38) ◽  
pp. no-no
Author(s):  
J. F. HAW ◽  
J. B. NICHOLAS ◽  
T. XU ◽  
L. W. BECK ◽  
D. B. FERGUSON
Keyword(s):  
Organic Chemistry ◽  
Solid Acids ◽  
Theoretical Chemistry ◽  
Physical Organic Chemistry ◽  
Physical Organic ◽  
In Situ Nmr

Physical Organic Chemistry of Solid Acids:  Lessons from in Situ NMR and Theoretical Chemistry

1996 ◽  
Vol 29 (6) ◽  
pp. 259-267 ◽  
Author(s):  
James F. Haw ◽  
John B. Nicholas ◽  
Teng Xu ◽  
Larry W. Beck ◽  
David B. Ferguson
Keyword(s):  
Organic Chemistry ◽  
Solid Acids ◽  
Theoretical Chemistry ◽  
Physical Organic Chemistry ◽  
Physical Organic ◽  
In Situ Nmr

scholarly journals Some Features of Java Language Illustrated through Examples from Chemistry

2003 ◽  
Vol 1 (2) ◽  
pp. 22-56
Author(s):  
K. V. Raman
Keyword(s):  
Organic Chemistry ◽  
Molecular Weight ◽  
Computer Programming ◽  
Atomic System ◽  
Unit Cell Dimension ◽  
Theoretical Chemistry ◽  
Chair Form ◽  
Java Language ◽  
Boat Form ◽  
Pascal Language

Computer programming has been used effectively by theoretical chemists and organic chemists to solve various types of problem in chemistry. Initially the languages used for computations in chemistry were FORTRAN and BASIC. Later the Pascal language was used for solving problems in chemistry and physics. Recently the languages C and C++ and Java have been used to solve problems in chemistry. In this paper I will illustrate features of C, C++ choosing examples from chemistry. Computer programming has been used effectively by theoretical chemists and organic chemists to solve various types of problem in chemistry. Initially the languages used for computations in chemistry were FORTRAN and BASIC. Later the Pascal language was used for solving problems in chemistry and physics. Recently the languages C and C++ and Java have been used to solve problems in chemistry. In this paper I will illustrate features of C, C++ choosing examples from chemistry. Some examples presented in this these languages are Program to calculate reduced mass of homo diatomic or hetero diatomic Program to calculate the molecular weight of a tetra atomic system ABCD Program to calculate NMR frequencies of spin 1/2 nuclei only Program to calculate NMR and ESR frequencies The examples presented in Java 2 are Program to calculate unit cell dimension of a crystal Program to generate the chair form and boat form of cyclohexane. The examples presented in this monograph will help researchers in theoretical chemistry and organic chemistry to develop their own software.

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