(Q21092922)

7 August 2022

1

Marcus D Hanwell

Marcus D

Hanwell

1 reference

7 August 2022

4

Tim Vandermeersch

Tim

Vandermeersch

1 reference

7 August 2022

Eva Zurek

5

Eva

Zurek

1 reference

7 August 2022

Donald E Curtis

2

Donald E

Curtis

1 reference

1012254507

7 August 2022

David C Lonie

series ordinal

3

author given names

David C

author last names

Lonie

1 reference

1012254507

Journal of Cheminformatics

7 August 2022

language of work or name

English

0 references

publication date

2012

0 references

published in

0 references

volume

4

0 references

issue

1

0 references

page(s)

17

0 references

copyright license

Creative Commons Attribution 2.0 Generic

start time

13 August 2012

1 reference

April 2022 Public Data File from Crossref

copyright status

copyrighted

1 reference

April 2022 Public Data File from Crossref

cites work

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1 reference

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19 March 2017

1 reference

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The Blue Obelisk-interoperability in chemical informatics

19 March 2017

1 reference

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VMD: visual molecular dynamics

19 March 2017

1 reference

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CML: Evolution and design

19 March 2017

1 reference

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The semantics of Chemical Markup Language (CML): dictionaries and conventions

19 March 2017

1 reference

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The Quixote project: Collaborative and Open Quantum Chemistry data management in the Internet age

19 March 2017

1 reference

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RASMOL: biomolecular graphics for all

19 March 2017

1 reference

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A computationally efficient and reliable bond order measure

7 April 2017

1 reference

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Ionization-loss stimulated Raman spectroscopy for conformational probing of flexible molecules.

12 September 2017

1 reference

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Internet resources integrating many small-molecule databases.

12 September 2017

1 reference

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12 September 2017

1 reference

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Smooth growth of organic semiconductor films on graphene for high-efficiency electronics

12 September 2017

1 reference

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Electron transfer triggered by optical excitation of phenothiazine-tris(meta-phenylene-ethynylene)-(tricarbonyl)(bpy)(py)rhenium(I).

30 May 2018

1 reference

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Nucleophilic degradation of fenitrothion insecticide and performance of nucleophiles: a computational study.

29 November 2018

1 reference

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Electronic coupling between two cyclometalated ruthenium centers bridged by 1,3,6,8-tetra(2-pyridyl)pyrene (tppyr).

29 November 2018

1 reference

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Ab initio calculations on the electronically excited states of small helium clusters.

29 November 2018

1 reference

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PACKMOL: a package for building initial configurations for molecular dynamics simulations.

29 November 2018

1 reference

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Ambient occlusion and edge cueing to enhance real time molecular visualization.

29 November 2018

1 reference

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Packing optimization for automated generation of complex system's initial configurations for molecular dynamics and docking

29 November 2018

1 reference

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XCrySDen--a new program for displaying crystalline structures and electron densities.

29 November 2018

1 reference

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Molden: a pre- and post-processing program for molecular and electronic structures.

29 November 2018

1 reference

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29 November 2018

1 reference

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Molecular dynamics simulations of membranes composed of glycolipids and phospholipids

29 November 2018

1 reference

12 December 2020

High-resolution electronic spectroscopy studies of meta-aminobenzoic acid in the gas phase reveal the origins of its solvatochromic behavior

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12 December 2020

Simulations of nanocylinders self-assembled from cyclic β-tripeptides

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12 December 2020

Diffusional effects on the reversible excited-state proton transfer. From experiments to Brownian dynamics simulations

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12 December 2020

Aromatic macrocycle containing amine and imine groups: intramolecular charge-transfer and multiple redox behavior

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12 December 2020

General atomic and molecular electronic structure system

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7 January 2021

Molpro: a general-purpose quantum chemistry program package

1 reference

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7 January 2021

NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations

1 reference

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7 January 2021

XtalOpt: An open-source evolutionary algorithm for crystal structure prediction

1 reference

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7 January 2021

Computer graphics and graphical user interfaces as tools in simulations of matter at the atomic scale

1 reference

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7 January 2021

SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules

1 reference

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7 January 2021

Effects of Charge Localization on the Orbital Energies of Bithiophene Clusters

1 reference

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7 January 2021

Composition rules of Ni-base single crystal superalloys and its influence on creep properties via a cluster formula approach

1 reference

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7 January 2021

Avogadro: an advanced semantic chemical editor, visualization, and analysis platform

1 reference

11 September 2021

https://opencitations.net/index/coci/api/v1/citations/10.1186/1758-2946-4-17

Identifiers

DOI

10.1186/1758-2946-4-17

1 reference

journals/jcheminf/HanwellCLVZH12

1796808

DBLP publication ID

1 reference

DBLP Dataset 2021-01-02

28 January 2021

https://scigraph.springernature.com/pub.10.1186/1758-2946-4-17

1 reference

9 September 2019

1796808

1 reference

1 reference

1 reference