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1	Material Type: Article	Optimization of parameters for semiempirical methods VI: more modifications to the NDDO approximations and re-optimization of parameters Journal of molecular modeling, 2013-01, Vol.19 (1), p.1-32 [Peer Reviewed Journal] The Author(s) 2012 ;ISSN: 1610-2940 ;EISSN: 0948-5023 ;DOI: 10.1007/s00894-012-1667-x ;PMID: 23187683 Full text available View Online Details Recommendations Reviews Times Cited External Links Citations Cited by
2	Material Type: Article	σ-Holes, π-holes and electrostatically-driven interactions Journal of molecular modeling, 2012-02, Vol.18 (2), p.541-548 [Peer Reviewed Journal] Springer-Verlag 2011 ;ISSN: 1610-2940 ;EISSN: 0948-5023 ;DOI: 10.1007/s00894-011-1089-1 ;PMID: 21541742 Full text available View Online Details Recommendations Reviews Times Cited External Links Citations Cited by
3	Material Type: Article	AllerTOP v.2—a server for in silico prediction of allergens Journal of molecular modeling, 2014-06, Vol.20 (6), p.2278, Article 2278 [Peer Reviewed Journal] Springer-Verlag Berlin Heidelberg 2014 ;ISSN: 1610-2940 ;EISSN: 0948-5023 ;DOI: 10.1007/s00894-014-2278-5 ;PMID: 24878803 Full text available View Online Details Recommendations Reviews Times Cited External Links Citations Cited by
4	Material Type: Article	Correction to: Quantum chemical “Aufbau” principles: how to estimate the shape of highly flexible (bio-)polymers? A recursively extendable “chemion picture” of Euler-Hückel-type Journal of molecular modeling, 2024, Vol.30 (3) [Peer Reviewed Journal] The Author(s) 2024 ;ISSN: 1610-2940 ;EISSN: 0948-5023 ;DOI: 10.1007/s00894-024-05864-w Digital Resources/Online E-Resources View Online Details Recommendations Reviews Times Cited External Links Citations Cited by
5	Material Type: Article	Quantitative analysis of molecular surfaces: areas, volumes, electrostatic potentials and average local ionization energies Journal of molecular modeling, 2010-11, Vol.16 (11), p.1679-1691 [Peer Reviewed Journal] Springer-Verlag 2010 ;ISSN: 1610-2940 ;ISSN: 0948-5023 ;EISSN: 0948-5023 ;DOI: 10.1007/s00894-010-0692-x ;PMID: 20361346 Full text available View Online Details Recommendations Reviews Times Cited External Links Citations Cited by
6	Material Type: Article	Physical properties of model biological lipid bilayers: insights from all-atom molecular dynamics simulations Journal of molecular modeling, 2019, Vol.25 (3) [Peer Reviewed Journal] The Author(s) 2019 ;ISSN: 1610-2940 ;EISSN: 0948-5023 ;DOI: 10.1007/s00894-019-3964-0 Digital Resources/Online E-Resources View Online Details Recommendations Reviews Times Cited External Links Citations Cited by
7	Material Type: Article	Trends in σ-hole strengths and interactions of F3MX molecules (M = C, Si, Ge and X = F, Cl, Br, I) Journal of molecular modeling, 2013-07, Vol.19 (7), p.2739-2746 [Peer Reviewed Journal] Springer-Verlag 2012 ;ISSN: 1610-2940 ;EISSN: 0948-5023 ;DOI: 10.1007/s00894-012-1571-4 ;PMID: 22968690 Full text available View Online Details Recommendations Reviews Times Cited External Links Citations Cited by
8	Material Type: Article	Halogen bond tunability II: the varying roles of electrostatic and dispersion contributions to attraction in halogen bonds Journal of molecular modeling, 2013-11, Vol.19 (11), p.4651-4659 [Peer Reviewed Journal] Springer-Verlag 2012 ;ISSN: 1610-2940 ;EISSN: 0948-5023 ;DOI: 10.1007/s00894-012-1428-x ;PMID: 22643966 Full text available View Online Details Recommendations Reviews Times Cited External Links Citations Cited by
9	Material Type: Article	Halogen bond tunability I: the effects of aromatic fluorine substitution on the strengths of halogen-bonding interactions involving chlorine, bromine, and iodine Journal of molecular modeling, 2011-12, Vol.17 (12), p.3309-3318 [Peer Reviewed Journal] Springer-Verlag 2011 ;ISSN: 1610-2940 ;EISSN: 0948-5023 ;DOI: 10.1007/s00894-011-1015-6 ;PMID: 21369930 Full text available View Online Details Recommendations Reviews Times Cited External Links Citations Cited by
10	Material Type: Article	On the origin of the shift between vertical excitation and band maximum in molecular photoabsorption Journal of molecular modeling, 2020-05, Vol.26 (5) [Peer Reviewed Journal] The Author(s) 2020 ;Attribution ;ISSN: 1610-2940 ;EISSN: 0948-5023 ;DOI: 10.1007/s00894-020-04355-y Digital Resources/Online E-Resources View Online Details Recommendations Reviews Times Cited External Links Citations Cited by
11	Material Type: Article	Metal-doped graphene layers composed with boron nitride–graphene as an insulator: a nano-capacitor Journal of molecular modeling, 2014-11, Vol.20 (11), p.2507-2507, Article 2507 [Peer Reviewed Journal] Springer-Verlag Berlin Heidelberg 2014 ;ISSN: 1610-2940 ;EISSN: 0948-5023 ;DOI: 10.1007/s00894-014-2507-y ;PMID: 25359456 Full text available View Online Details Recommendations Reviews Times Cited External Links Citations Cited by
12	Material Type: Article	A comparative study on the B12N12, Al12N12, B12P12 and Al12P12 fullerene-like cages Journal of molecular modeling, 2012-06, Vol.18 (6), p.2653-2658 [Peer Reviewed Journal] Springer-Verlag 2011 ;ISSN: 1610-2940 ;EISSN: 0948-5023 ;DOI: 10.1007/s00894-011-1286-y ;PMID: 22086460 Full text available View Online Details Recommendations Reviews Times Cited External Links Citations Cited by
13	Material Type: Article	Average local ionization energy: A review Journal of molecular modeling, 2010-11, Vol.16 (11), p.1731-1742 [Peer Reviewed Journal] Springer-Verlag 2010 ;ISSN: 1610-2940 ;EISSN: 0948-5023 ;DOI: 10.1007/s00894-010-0709-5 ;PMID: 20411398 Full text available View Online Details Recommendations Reviews Times Cited External Links Citations Cited by
14	Material Type: Article	Expansion of the σ-hole concept Journal of molecular modeling, 2009-06, Vol.15 (6), p.723-729 [Peer Reviewed Journal] Springer-Verlag 2008 ;ISSN: 1610-2940 ;EISSN: 0948-5023 ;DOI: 10.1007/s00894-008-0386-9 ;PMID: 19082643 Full text available View Online Details Recommendations Reviews Times Cited External Links Citations Cited by
15	Material Type: Article	Non-covalent interactions from a Quantum Chemical Topology perspective Journal of molecular modeling, 2022-09, Vol.28 (9) [Peer Reviewed Journal] The Author(s) 2022 ;ISSN: 1610-2940 ;EISSN: 0948-5023 ;DOI: 10.1007/s00894-022-05188-7 Digital Resources/Online E-Resources View Online Details Recommendations Reviews Times Cited External Links Citations Cited by
16	Material Type: Article	The effect of cross linking density on the mechanical properties and structure of the epoxy polymers: molecular dynamics simulation Journal of molecular modeling, 2013-09, Vol.19 (9), p.3719-3731 [Peer Reviewed Journal] Springer-Verlag Berlin Heidelberg 2013 ;ISSN: 1610-2940 ;EISSN: 0948-5023 ;DOI: 10.1007/s00894-013-1906-9 ;PMID: 23793720 Full text available View Online Details Recommendations Reviews Times Cited External Links Citations Cited by
17	Material Type: Article	Correction to: Boron nitride nanotubes as containers for targeted drug delivery of doxorubicin Journal of molecular modeling, 2022, Vol.28 (7) [Peer Reviewed Journal] The Author(s) 2022 ;ISSN: 1610-2940 ;EISSN: 0948-5023 ;DOI: 10.1007/s00894-022-05124-9 Digital Resources/Online E-Resources View Online Details Recommendations Reviews Times Cited External Links Citations Cited by
18	Material Type: Article	Impact sensitivity and crystal lattice compressibility/free space Journal of molecular modeling, 2014-05, Vol.20 (5), p.2223-2223, Article 2223 [Peer Reviewed Journal] Springer-Verlag Berlin Heidelberg 2014 ;ISSN: 1610-2940 ;EISSN: 0948-5023 ;DOI: 10.1007/s00894-014-2223-7 ;PMID: 24756553 Full text available View Online Details Recommendations Reviews Times Cited External Links Citations Cited by
19	Material Type: Article	Introducing “UCA-FUKUI” software: reactivity-index calculations Journal of molecular modeling, 2014-11, Vol.20 (11), p.2492-2492, Article 2492 [Peer Reviewed Journal] Springer-Verlag Berlin Heidelberg 2014 ;ISSN: 1610-2940 ;EISSN: 0948-5023 ;DOI: 10.1007/s00894-014-2492-1 ;PMID: 25338819 Full text available View Online Details Recommendations Reviews Times Cited External Links Citations Cited by
20	Material Type: Article	σ-hole bonding between like atoms; a fallacy of atomic charges Journal of molecular modeling, 2008-08, Vol.14 (8), p.659-665 [Peer Reviewed Journal] Springer-Verlag 2008 ;ISSN: 1610-2940 ;EISSN: 0948-5023 ;DOI: 10.1007/s00894-008-0280-5 ;PMID: 18317819 Full text available View Online Details Recommendations Reviews Times Cited External Links Citations Cited by

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Results 1 - 20 of 2,435 for All Library Resources

The Author(s) 2012 ;ISSN: 1610-2940 ;EISSN: 0948-5023 ;DOI: 10.1007/s00894-012-1667-x ;PMID: 23187683

Springer-Verlag 2011 ;ISSN: 1610-2940 ;EISSN: 0948-5023 ;DOI: 10.1007/s00894-011-1089-1 ;PMID: 21541742

Springer-Verlag Berlin Heidelberg 2014 ;ISSN: 1610-2940 ;EISSN: 0948-5023 ;DOI: 10.1007/s00894-014-2278-5 ;PMID: 24878803

The Author(s) 2024 ;ISSN: 1610-2940 ;EISSN: 0948-5023 ;DOI: 10.1007/s00894-024-05864-w

Springer-Verlag 2010 ;ISSN: 1610-2940 ;ISSN: 0948-5023 ;EISSN: 0948-5023 ;DOI: 10.1007/s00894-010-0692-x ;PMID: 20361346

The Author(s) 2019 ;ISSN: 1610-2940 ;EISSN: 0948-5023 ;DOI: 10.1007/s00894-019-3964-0

Springer-Verlag 2012 ;ISSN: 1610-2940 ;EISSN: 0948-5023 ;DOI: 10.1007/s00894-012-1571-4 ;PMID: 22968690

Springer-Verlag 2012 ;ISSN: 1610-2940 ;EISSN: 0948-5023 ;DOI: 10.1007/s00894-012-1428-x ;PMID: 22643966

Springer-Verlag 2011 ;ISSN: 1610-2940 ;EISSN: 0948-5023 ;DOI: 10.1007/s00894-011-1015-6 ;PMID: 21369930

The Author(s) 2020 ;Attribution ;ISSN: 1610-2940 ;EISSN: 0948-5023 ;DOI: 10.1007/s00894-020-04355-y

Springer-Verlag Berlin Heidelberg 2014 ;ISSN: 1610-2940 ;EISSN: 0948-5023 ;DOI: 10.1007/s00894-014-2507-y ;PMID: 25359456

Springer-Verlag 2011 ;ISSN: 1610-2940 ;EISSN: 0948-5023 ;DOI: 10.1007/s00894-011-1286-y ;PMID: 22086460

Springer-Verlag 2010 ;ISSN: 1610-2940 ;EISSN: 0948-5023 ;DOI: 10.1007/s00894-010-0709-5 ;PMID: 20411398

Springer-Verlag 2008 ;ISSN: 1610-2940 ;EISSN: 0948-5023 ;DOI: 10.1007/s00894-008-0386-9 ;PMID: 19082643

The Author(s) 2022 ;ISSN: 1610-2940 ;EISSN: 0948-5023 ;DOI: 10.1007/s00894-022-05188-7

Springer-Verlag Berlin Heidelberg 2013 ;ISSN: 1610-2940 ;EISSN: 0948-5023 ;DOI: 10.1007/s00894-013-1906-9 ;PMID: 23793720

The Author(s) 2022 ;ISSN: 1610-2940 ;EISSN: 0948-5023 ;DOI: 10.1007/s00894-022-05124-9

Springer-Verlag Berlin Heidelberg 2014 ;ISSN: 1610-2940 ;EISSN: 0948-5023 ;DOI: 10.1007/s00894-014-2223-7 ;PMID: 24756553

Springer-Verlag Berlin Heidelberg 2014 ;ISSN: 1610-2940 ;EISSN: 0948-5023 ;DOI: 10.1007/s00894-014-2492-1 ;PMID: 25338819

Springer-Verlag 2008 ;ISSN: 1610-2940 ;EISSN: 0948-5023 ;DOI: 10.1007/s00894-008-0280-5 ;PMID: 18317819

Results 1 - 20 of 2,435 for All Library Resources

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