Comparison of the yields of mono-, Di- and tri-chlorinated HAAs and THMs in chlorination and chloramination based on experimental and quantum-chemical data

Water Research ◽

10.1016/j.watres.2019.115100 ◽

2020 ◽

Vol 169 ◽

pp. 115100 ◽

Author(s):

Chenyang Zhang ◽

Bingya Chen ◽

Gregory V. Korshin ◽

Andrey M. Kuznetsov ◽

Paolo Roccaro ◽

...

Keyword(s):

Quantum Chemical ◽

Chemical Data ◽

Quantum Chemical Data

Download Full-text

Tables of quantum chemical data. V. Molecular orbitals of peri-condensed tricyclic hydrocarbons

Collection of Czechoslovak Chemical Communications ◽

10.1135/cccc19653529 ◽

1965 ◽

Vol 30 (10) ◽

pp. 3529-3536 ◽

Author(s):

R. Zahradník ◽

J. Michl

Keyword(s):

Quantum Chemical ◽

Molecular Orbitals ◽

Chemical Data ◽

Quantum Chemical Data

Download Full-text

Tables of quantum chemical data. III. Molecular orbitals of some fluoranthene-like hydrocarbons, cyclopentadienyl, and some of its benzo and naphtho derivatives

Collection of Czechoslovak Chemical Communications ◽

10.1135/cccc19643184 ◽

1964 ◽

Vol 29 (12) ◽

pp. 3184-3210

Author(s):

R. Zahradník ◽

J. Michl ◽

J. Koutecký

Keyword(s):

Quantum Chemical ◽

Molecular Orbitals ◽

Chemical Data ◽

Quantum Chemical Data

Download Full-text

Tables of quantum chemical data. XIII. Energy characteristics of some benzoderivatives of fulvene and heptafulvene

Collection of Czechoslovak Chemical Communications ◽

10.1135/cccc19673028 ◽

1967 ◽

Vol 32 (8) ◽

pp. 3028-3030 ◽

Author(s):

M. Titz ◽

P. Hochmann

Keyword(s):

Quantum Chemical ◽

Chemical Data ◽

Energy Characteristics ◽

Quantum Chemical Data

Download Full-text

ChemInform Abstract: Electronic Structure and Conformational Properties of the Amide Linkage. Part 8. 13C NMR Spectroscopic Study of Some Cyclic Ureas and Thioureas (I)-(III): Correlation of Chemical Shifts with Quantum Chemical Data.

10.1002/chin.199038045 ◽

1990 ◽

Vol 21 (38) ◽

Author(s):

G. IRSCH ◽

P. RADEMACHER

Keyword(s):

Electronic Structure ◽

Spectroscopic Study ◽

13C Nmr ◽

Quantum Chemical ◽

Chemical Shifts ◽

Chemical Data ◽

Amide Linkage ◽

Conformational Properties ◽

Quantum Chemical Data

Download Full-text

Tables of quantum chemical data. I. Molecular orbitals of some benzenoid hydrocarbons and benzo derivatives of fluoranthene

Collection of Czechoslovak Chemical Communications ◽

10.1135/cccc19623053 ◽

1962 ◽

Vol 27 (12) ◽

pp. 3053-3075

Author(s):

P. Hochman ◽

J. Koutecký ◽

R. Zahradník

Keyword(s):

Quantum Chemical ◽

Molecular Orbitals ◽

Chemical Data ◽

Benzenoid Hydrocarbons ◽

Derivatives Of ◽

Quantum Chemical Data

Download Full-text

Determination of the parameters of multidimension vibration Hamiltonian of CH3NH2 from quantum chemical data

International Journal of Quantum Chemistry ◽

10.1002/qua.10648 ◽

2003 ◽

Vol 96 (3) ◽

pp. 210-218 ◽

Author(s):

I. S. Irgibaeva

Keyword(s):

Quantum Chemical ◽

Chemical Data ◽

Quantum Chemical Data

Download Full-text

Tables of quantum chemical data. VII. Molecular orbitals of indacene-like and some peri-condensed tetracyclic hydrocarbons

Collection of Czechoslovak Chemical Communications ◽

10.1135/cccc19653550 ◽

1965 ◽

Vol 30 (10) ◽

pp. 3550-3560 ◽

Author(s):

R. Zahradník ◽

J. Michl

Keyword(s):

Quantum Chemical ◽

Molecular Orbitals ◽

Chemical Data ◽

Quantum Chemical Data

Download Full-text

Tables of quantum chemical data. VI. Energy characteristics of some alternant hydrocarbons

Collection of Czechoslovak Chemical Communications ◽

10.1135/cccc19653536 ◽

1965 ◽

Vol 30 (10) ◽

pp. 3536-3549 ◽

Author(s):

R. Zahradník ◽

C. Párkányi

Keyword(s):

Quantum Chemical ◽

Chemical Data ◽

Energy Characteristics ◽

Alternant Hydrocarbons ◽

Quantum Chemical Data

Download Full-text

Tables of quantum chemical data. IV. Molecular orbitals of hydrocarbons of the pentalene, azulene and heptalene series

Collection of Czechoslovak Chemical Communications ◽

10.1135/cccc19653173 ◽

1965 ◽

Vol 30 (9) ◽

pp. 3173-3188 ◽

Author(s):

R. Zahradník ◽

J. Michl

Keyword(s):

Quantum Chemical ◽

Molecular Orbitals ◽

Chemical Data ◽

Quantum Chemical Data

Download Full-text

Quantum chemical data. I. SCF molecular orbitals for benzenoid hydrocarbons

Collection of Czechoslovak Chemical Communications ◽

10.1135/cccc19703136 ◽

1970 ◽

Vol 35 (10) ◽

pp. 3136-3189 ◽

Author(s):

M. J. S. Dewar ◽

N. Trinajstić

Keyword(s):

Quantum Chemical ◽

Molecular Orbitals ◽

Chemical Data ◽

Benzenoid Hydrocarbons ◽

Quantum Chemical Data

Download Full-text