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Molecular simulation is a powerful tool in materials science, physics, chemistry and biomolecular fields. This updated edition provides a pragmatic introduction to a wide range of techniques for the simulation of molecular systems at the atomic level. The first part concentrates on methods for calculating the potential energy of a molecular system, with new chapters on quantum chemical, molecular mechanical and hybrid potential techniques. The second part describes methods examining conformational, dynamical and thermodynamical properties of systems, covering techniques including geometry-optimization, normal-mode analysis, molecular dynamics, and Monte Carlo simulation. Using Python, the second edition includes numerous examples and program modules for each simulation technique, allowing the reader to perform the calculations and appreciate the inherent difficulties involved in each. This is a valuable resource for researchers and graduate students wanting to know how to use atomic-scale molecular simulations. Supplementary material, including the program library and technical information, available through www.cambridge.org/9780521852524.
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Writer, Samson Young, is staring death in the face, and not only his own. Void of ideas and on the verge of terminal decline, Samson’s dash to a decaying, degenerate London has brought him through the doors of the Black Cross pub and into a murder story just waiting to be narrated. At its centre is the mesmeric, doomed Nicola Six, destined to be murdered on her 35th birthday. Around her: the disreputable men who might yet turn out to be her killer. All Samson has to do is to write Nicola’s story as it happens, and savour in this one last gift that life has granted him. 'A true story, a murder story, a love story and a thriller bursting with humour, sex and often dazzling language' Independent
Thirty years ago one of the most popular British films of all time was released. The Italian Job is remembered by everyone who has seen it, if not for Michael Caine's unforgettable line "You're only supposed to blow the bloody doors off!" - which led to the trademark impression of him - then for the literal cliff-hanger of an ending. Consistently in the top 100 films of all time and voted fourth best British film of all time, The Italian Job story is covered here from start to finish: how it was made, by the people who made it.
'Weaves the wacky, the woeful and the wonderful into an entertaining narrative spiced with lots of London-inspired poetry' - The Times From the medieval cobbles, through Dickensian iron and fog, to the neon lights and bustle of the twenty-first century, the ever-changing streets of London map out the vibrant stories, triumphs and struggles of everyone who ever called London home. From the Roman and Celts marching along the ancient Old Kent Road, to the rattling newspaper presses of Fleet Street, the game of Monopoly has painted London's story across cheerful coloured tiles. But those Monopoly streets live and breathe - they don't just illuminate our history. They open up whole new ways of thinking about it. The mobs have taken to our streets. The overlords have taken them back. Wars have spilled out into them. Lovers have snuck around them, and fires have raged through them. In a city of rags and riches, where folk hero Dick Whittington believed the streets were paved with gold, anything could happen - and everything has. You may think you know the history of London. You don't. Or at least, not entirely. This is the story of the capital as you've never, quite, heard it before.