Molecular orbital calculations of chemical and biological mechanisms

Molecular orbital calculations of chemical and biological mechanisms

Bibliographic Details
Main Author:	Farnell, L.
Other Authors:	Richards, W. G.
Published:	University of Oxford 1974
Subjects:	541.2
Online Access:	http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.455169

Similar Items

Molecular orbital calculation of chemical and biological mechanisms
by: Port, G. N. J.
Published: (1972)

Some molecular orbital calculations of NMR chemical shifts
by: Ebraheem, Kais Abdul Kareem
Published: (1977)

Some semi-empirical molecular orbital calculations of NMR chemical shifts
by: Heravi, Mehdi Jallali
Published: (1978)

Semi-empirical Molecular Orbital Calculations and their Application to some Physical-Chemical Properties of Organic Molecules
by: Giddings, M. R.
Published: (1975)

Some molecular orbital calculations of the potential energy surfaces of organic molecules
by: Clyne, L.
Published: (1975)

Non-empirical molecular orbital calculations related to aromatic and heteroaromatic systems
by: Nisbet, John Donald
Published: (1978)

The Importance of having a Self-Consistent geometry in Molecular Orbital Calculations
by: Benson, H. G.
Published: (1971)

Valence-Shell Molecular Orbitals
by: Vincent, I. G.
Published: (1976)

Some Computational Developments in Molecular Orbital Theory
by: Collins, M. P.
Published: (1976)

A new approach to the molecular orbital theory
by: Jenkins, H. D. B.
Published: (1965)

Studies in Self-Consistent Field Molecular Orbital Theory
by: Baykara, N. A.
Published: (1977)

The application of molecular orbital theory to substituent effects in aromatic systems
by: Duerden, M. F.
Published: (1973)

The use of correlated gaussian wave functions for the calculation of chemical energies
by: Fraser, S. J.
Published: (1970)

Mechanically Activated Chemical Reactions
by: Hauser, H. M.
Published: (1977)

Chemical studies of the mechanism of indole synthesis
by: Archer, A. A. P. G.
Published: (1959)

Chemical reaction rates from ring polymer molecular dynamics
by: Collepardo-Guevara, Rosana
Published: (2009)

A Study of Orbital Interactions in Saturated Organic Compounds
by: Miller, B. W.
Published: (1978)

The computation of the localised molecular orbitals of formaldehyde
by: Holder, Janet Mary
Published: (1975)

Mixed basis functions in molecular quantum mechanics
by: Bacskay, G. B.
Published: (1971)

Variational Calculations of Excited States
by: Martinussen-Runde, Olaf J.
Published: (1975)

Calculations of the Properties of diatomic molecules
by: Amos, R. D.
Published: (1972)

New approaches to calculating the electronic structure of small molecules
by: Case, David
Published: (2012)

Non-empirical calculations on the electronic structure of olefins and aromatics
by: Findlay, Robert H.
Published: (1973)

SCF Calculations of Bond Properties and Potential Energy Surfaces
by: Guest, M. F.
Published: (1971)

Ab initio calculations of NMR and ESR coupling constants
by: Overill, R. E.
Published: (1976)

Rationalization of Lattice Energy Calculations, With Particular Reference to Complex Salts
by: Pratt, K. F.
Published: (1978)

Non-Empirical Calculation of Nuclear Spin-Spin Coupling Constants
by: Chin, C. C. S.
Published: (1977)

Double nuclear quadrupole resonance in biological compounds
by: Mackay, A. L.
Published: (1975)

I.N.D.O. Calculations of Nuclear Spin-Spin Coupling Constants
by: Beer, M. D.
Published: (1976)

Contributions to the theory of chemical valency
by: Hall, G. G.
Published: (1951)

Automorphisms and Extensions in Chemical Physics
by: Walker, J. R.
Published: (1977)

Chemical generation of excited states
by: Hart, R. J.
Published: (1978)

Physico - Chemical Aspects of Abrasion
by: Freeman, I.
Published: (1975)

Magnetic field and chemical reactions
by: Broomhead, E. J.
Published: (1977)

An Investigation of the use of the VB Method for Calculations on Small Molecules, with the Expenditure of Modest Amounts of Computing Resources
by: Stewart, J. S. M. M.
Published: (1977)

A Pseudopotential approach to Chemical Bonding
by: Bullett, D. W.
Published: (1974)

Physico-Chemical Studies on the Structure of Nucleohistone
by: Hyde, J. E.
Published: (1975)

Physico-Chemical Studies on Calcium Minerals
by: Davies, P.
Published: (1977)

The Study of Stochastic Processes in Some Chemical Systems
by: Singleton, D. R.
Published: (1974)

Automated analysis and validation of open chemical data
by: Day, Nicholas E.
Published: (2009)

Cannot write session to /tmp/vufind_sessions/sess_fqctsh7geegklt5ovt24t7ov41